SMILES
stringlengths
2
1.53k
IUPAC
stringlengths
6
1.98k
N#CSN=N
diazenylthiocyanate
O=C(F)COCF
2-(fluoromethoxy)acetylfluoride
N#CSSF
fluorodisulfanylformonitrile
C=C(F)Cl
1-chloro-1-fluoroethene
CC(O)Cn1ncc2ccccc21
1-indazol-1-ylpropan-2-ol
N#CCc1ccccc1CS
2-[2-(sulfanylmethyl)phenyl]acetonitrile
FCc1ccccc1Br
1-bromo-2-(fluoromethyl)benzene
C=CC(C)O
but-3-en-2-ol
Nc1ccc(OC(=O)Br)s1
(5-aminothiophen-2-yl)carbonobromidate
N#CSCCCl
2-chloroethylthiocyanate
COC(=O)CNSC
methyl2-(methylsulfanylamino)acetate
COCC(c1ccccc1)(c1ccccc1)c1ccc(OC)cc1
1-(2-methoxy-1,1-diphenylethyl)-4-methoxybenzene
CCCCC(C)NF
N-fluorohexan-2-amine
COCNC(C)=O
N-(methoxymethyl)acetamide
O=C(O)CSS
2-(disulfanyl)aceticacid
CN(CS)S(=O)(=O)N1C[C@H]2CC[C@@H](C1)N(C(=O)O)C2
(1S,5S)-3-[methyl(sulfanylmethyl)sulfamoyl]-3,6-diazabicyclo[3.2.2]nonane-6-carboxylicacid
N=CCSS
2-(disulfanyl)ethanimine
CON=O
methylnitrite
C[C@H](OO)c1ccncc1
4-[(1S)-1-hydroperoxyethyl]pyridine
CCOC(=O)/C(C#N)=N/Nc1ccc(C(=O)F)cc1O
ethyl(2E)-2-cyano-2-[(4-carbonofluoridoyl-2-hydroxyphenyl)hydrazinylidene]acetate
CCSCBr
bromo(ethylsulfanyl)methane
CCCNCC(=O)OCCCCCCO
6-hydroxyhexyl2-(propylamino)acetate
NCC1CC1OCCc1ccccc1
[2-(2-phenylethoxy)cyclopropyl]methanamine
O=NBr
bromonitrite
CCOC(=O)/C(C#N)=N/NC1CCOCC1
ethyl(2E)-2-cyano-2-(oxan-4-ylhydrazinylidene)acetate
COCSCC=O
2-(methoxymethylsulfanyl)acetaldehyde
COOCCc1ccc(N=N)cc1
[4-(2-methylperoxyethyl)phenyl]diazene
FCC(F)F
1,1,2-trifluoroethane
C=COC#N
ethenylcyanate
COCCCC(F)CCCC(=O)O
5-fluoro-8-methoxyoctanoicacid
COc1cc(C2=CC(=O)OC2)ccc1OCS
3-[3-methoxy-4-(sulfanylmethoxy)phenyl]-2H-furan-5-one
N#COSF
fluorosulfanylcyanate
N#COCCCCl
3-chloropropylcyanate
C=NN(O)CO
[hydroxy-(methylideneamino)amino]methanol
C=NN(O)S
N-(methylideneamino)-N-sulfanylhydroxylamine
N=NSO
hydroxysulfanyldiazene
SSCC1=CCC=CC1
1-(disulfanylmethyl)cyclohexa-1,4-diene
[O-]C=CO
2-hydroxyethenolate
C=C(O)Br
1-bromoethenol
N#CSCF
fluoromethylsulfanylformonitrile
COC1=NOC2CNCC12
3-methoxy-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d][1,2]oxazole
O=C1C=C(c2ccc(OC(=O)CCCc3cccs3)c(C=CF)c2)CO1
[2-(2-fluoroethenyl)-4-(5-oxo-2H-furan-3-yl)phenyl]4-thiophen-2-ylbutanoate
N#CNC=CF
2-fluoroethenylcyanamide
OC=CSF
2-hydroxyethenylthiohypofluorite
N#CCCS
3-sulfanylpropanenitrile
S=CCS
2-sulfanylethanethioaldehyde
FN=COCl
fluoroiminomethylhypochlorite
CCc1cccc(C(=O)OCCl)c1
chloromethyl3-ethylbenzoate
CCCCCCN=N
hexyldiazene
CS[Si](C)(C)O
hydroxy-dimethyl-methylsulfanylsilane
ClCOC/C=C/CBr
(E)-1-bromo-4-(chloromethoxy)but-2-ene
FC=CCNF
N-fluoro-3-fluoroprop-2-en-1-amine
CCC(O)C1CCCCC1
1-cyclohexylpropan-1-ol
SSC(Cl)c1ccccc1
[chloro(disulfanyl)methyl]benzene
CCC(CF)C1CCCCC1
1-fluorobutan-2-ylcyclohexane
FC=CN1CC1
1-(2-fluoroethenyl)aziridine
FCCSS
1-(disulfanyl)-2-fluoroethane
CN(N)C(=O)O
amino(methyl)carbamicacid
CONCc1ccc(C(C)(F)F)cc1
1-[4-(1,1-difluoroethyl)phenyl]-N-methoxymethanamine
CCCC#CF
1-fluoropent-1-yne
N=NC=CF
2-fluoroethenyldiazene
N=NN=N
diazenyldiazene
CCc1ccc(OCC(C)=O)cc1OC(=O)CCC(C)C
[2-ethyl-5-(2-oxopropoxy)phenyl]4-methylpentanoate
CCSC1CC1
ethylsulfanylcyclopropane
CSNc1ccc(C(=O)N2CCCCC2)cc1
[4-(methylsulfanylamino)phenyl]-piperidin-1-ylmethanone
CN1CCN(c2cnn(C)c2)C(=O)C1
4-methyl-1-(1-methylpyrazol-4-yl)piperazin-2-one
CC(F)S
1-fluoroethanethiol
C=CSC=S
ethenylsulfanylmethanethioaldehyde
N#CSN
aminothiocyanate
CC(=O)Nc1ccc(/C=N/NC(=S)NCCCCS)cc1
N-[4-[(E)-(4-sulfanylbutylcarbamothioylhydrazinylidene)methyl]phenyl]acetamide
N=CCCN=N
3-diazenylpropan-1-imine
C=CSC(C)S
1-ethenylsulfanylethanethiol
FOC1CC1
cyclopropylhypofluorite
O=CCCCO
4-hydroxybutanal
CC(C)NC(=O)c1ccccc1Cl
2-chloro-N-propan-2-ylbenzamide
OCCCNO
3-(hydroxyamino)propan-1-ol-
C[C@H](O)c1ccc(C#N)cc1N(CS)CC(N)=O
2-[5-cyano-2-[(1S)-1-hydroxyethyl]-N-(sulfanylmethyl)anilino]acetamide
N#Cc1ccc(O)c(N(CO)CC(=O)Br)c1
2-[5-cyano-2-hydroxy-N-(hydroxymethyl)anilino]acetylbromide
COOCOC(=O)CN1CCC1
methylperoxymethyl2-(azetidin-1-yl)acetate
CCCCCCCCOc1ccccc1CN1CCN(O)CC1
1-hydroxy-4-[(2-octoxyphenyl)methyl]piperazine
CC(=O)S(=O)(=O)CCN
1-(2-aminoethylsulfonyl)ethanone
NNCCl
chloromethylhydrazine
O=CCNF
2-(fluoroamino)acetaldehyde
CONC(C)=O
N-methoxyacetamide
NCCOO
2-hydroperoxyethanamine
Cc1nc(CS)cs1
(2-methyl-1,3-thiazol-4-yl)methanethiol
C=CCc1cccc(S)c1
3-prop-2-enylbenzene-1-thiol
O=S(=O)(C1CC1)N(F)Cc1ccccc1
N-benzyl-N-fluorocyclopropanesulfonamide
C#CNC=N
N-ethynylmethanimidamide
CC(N)=O
acetamide
CCCSCO
propylsulfanylmethanol
CCCc1cc(C(CC)C2CCCCC2)n(C2=CC=C(C)C2OC)c1C
5-(1-cyclohexylpropyl)-1-(5-methoxy-4-methylcyclopenta-1,3-dien-1-yl)-2-methyl-3-propylpyrrole
N=NN=O
nitrosodiazene
COON(O)C1=CCC=C1
N-cyclopenta-1,4-dien-1-yl-N-methylperoxyhydroxylamine
CCC(OO)C1CCCCC1
1-hydroperoxypropylcyclohexane
SCNCS
sulfanylmethylaminomethanethiol
C=C(F)NS
N-(1-fluoroethenyl)thiohydroxylamine
CC=NO
N-ethylidenehydroxylamine
CCCCC=O
pentanal
NN=CO
hydrazinylidenemethanol