CAS RN: 214330-98-0
CAS Name: (E)-3-[(4-bromophenyl)thio]-2-cyano-3-(methylthio)-2-propenoic acid ethyl ester
OPENEYE Name: ethyl (E)-3-(4-bromophenyl)sulfanyl-2-cyano-3-methylsulfanyl-prop-2-enoate
IUPAC Name: ethyl (E)-3-(4-bromophenyl)sulfanyl-2-cyano-3-methylsulfanylprop-2-enoate
SYSTEMATIC NAME: ethyl (E)-3-(4-bromophenyl)sulfanyl-2-cyano-3-methylsulfanyl-prop-2-enoate
MOLECULAR FORMULA: C13H12BrNO2S2
MOLECULAR WEIGHT: 358.27388
SMILES: CCOC(=O)/C(=C(\SC)/SC1=CC=C(C=C1)Br)/C#N
Structure:
CAS RN: 214330-97-9
CAS Name: (E)-3-[(4-chlorophenyl)thio]-2-cyano-3-(methylthio)-2-propenoic acid ethyl ester
OPENEYE Name: ethyl (E)-3-(4-chlorophenyl)sulfanyl-2-cyano-3-methylsulfanyl-prop-2-enoate
IUPAC Name: ethyl (E)-3-(4-chlorophenyl)sulfanyl-2-cyano-3-methylsulfanylprop-2-enoate
SYSTEMATIC NAME: ethyl (E)-3-(4-chlorophenyl)sulfanyl-2-cyano-3-methylsulfanyl-prop-2-enoate
MOLECULAR FORMULA: C13H12ClNO2S2
MOLECULAR WEIGHT: 313.82288
SMILES: CCOC(=O)/C(=C(\SC)/SC1=CC=C(C=C1)Cl)/C#N
Structure:
CAS RN: 214330-88-8
CAS Name: 2-[[(4-chlorophenyl)thio]-(methylthio)methylidene]propanedinitrile
OPENEYE Name: 2-[(4-chlorophenyl)sulfanyl-methylsulfanyl-methylene]propanedinitrile
IUPAC Name: 2-[(4-chlorophenyl)sulfanyl-methylsulfanylmethylidene]propanedinitrile
SYSTEMATIC NAME: 2-[(4-chlorophenyl)sulfanyl-methylsulfanyl-methylidene]propanedinitrile
MOLECULAR FORMULA: C11H7ClN2S2
MOLECULAR WEIGHT: 266.76968
SMILES: CSC(=C(C#N)C#N)SC1=CC=C(C=C1)Cl
Structure:
CAS RN: 214330-86-6
CAS Name: 2-[[(3-chlorophenyl)thio]-(methylthio)methylidene]propanedinitrile
OPENEYE Name: 2-[(3-chlorophenyl)sulfanyl-methylsulfanyl-methylene]propanedinitrile
IUPAC Name: 2-[(3-chlorophenyl)sulfanyl-methylsulfanylmethylidene]propanedinitrile
SYSTEMATIC NAME: 2-[(3-chlorophenyl)sulfanyl-methylsulfanyl-methylidene]propanedinitrile
MOLECULAR FORMULA: C11H7ClN2S2
MOLECULAR WEIGHT: 266.76968
SMILES: CSC(=C(C#N)C#N)SC1=CC(=CC=C1)Cl
Structure:
CAS RN: 214330-83-3
CAS Name: 2-[(methylthio)-[(3-nitrophenyl)thio]methylidene]propanedinitrile
OPENEYE Name: 2-[methylsulfanyl-(3-nitrophenyl)sulfanyl-methylene]propanedinitrile
IUPAC Name: 2-[methylsulfanyl-(3-nitrophenyl)sulfanylmethylidene]propanedinitrile
SYSTEMATIC NAME: 2-[methylsulfanyl-(3-nitrophenyl)sulfanyl-methylidene]propanedinitrile
MOLECULAR FORMULA: C11H7N3O2S2
MOLECULAR WEIGHT: 277.32218
SMILES: CSC(=C(C#N)C#N)SC1=CC=CC(=C1)[N+](=O)[O-]
Structure:
CAS RN: 214330-81-1
CAS Name: 2-[(methylthio)-[(2-nitrophenyl)thio]methylidene]propanedinitrile
OPENEYE Name: 2-[methylsulfanyl-(2-nitrophenyl)sulfanyl-methylene]propanedinitrile
IUPAC Name: 2-[methylsulfanyl-(2-nitrophenyl)sulfanylmethylidene]propanedinitrile
SYSTEMATIC NAME: 2-[methylsulfanyl-(2-nitrophenyl)sulfanyl-methylidene]propanedinitrile
MOLECULAR FORMULA: C11H7N3O2S2
MOLECULAR WEIGHT: 277.32218
SMILES: CSC(=C(C#N)C#N)SC1=CC=CC=C1[N+](=O)[O-]
Structure:
CAS RN: 214330-80-0
CAS Name: 2-[[(2-methylphenyl)thio]-(methylthio)methylidene]propanedinitrile
OPENEYE Name: 2-[methylsulfanyl(o-tolylsulfanyl)methylene]propanedinitrile
IUPAC Name: 2-[(2-methylphenyl)sulfanyl-methylsulfanylmethylidene]propanedinitrile
SYSTEMATIC NAME: 2-[(2-methylphenyl)sulfanyl-methylsulfanyl-methylidene]propanedinitrile
MOLECULAR FORMULA: C12H10N2S2
MOLECULAR WEIGHT: 246.3512
SMILES: CC1=CC=CC=C1SC(=C(C#N)C#N)SC
Structure:
CAS RN: 113544-20-0
CAS Name: (2E)-5-(methylthio)-2-(phenylmethylene)-3-thiophenone
OPENEYE Name: (2E)-2-benzylidene-5-methylsulfanyl-thiophen-3-one
IUPAC Name: (2E)-2-benzylidene-5-methylsulfanylthiophen-3-one
SYSTEMATIC NAME: (2E)-5-methylsulfanyl-2-(phenylmethylidene)thiophen-3-one
MOLECULAR FORMULA: C12H10OS2
MOLECULAR WEIGHT: 234.3372
SMILES: CSC1=CC(=O)/C(=C\C2=CC=CC=C2)/S1
Structure:
CAS RN: 24097-29-8
CAS Name: 2,6-bis(methylthio)-3,5-diphenyl-4-thiopyranone
OPENEYE Name: 2,6-bis(methylsulfanyl)-3,5-diphenyl-thiopyran-4-one
IUPAC Name: 2,6-bis(methylsulfanyl)-3,5-diphenylthiopyran-4-one
SYSTEMATIC NAME: 2,6-bis(methylsulfanyl)-3,5-diphenyl-thiopyran-4-one
MOLECULAR FORMULA: C19H16OS3
MOLECULAR WEIGHT: 356.52474
SMILES: CSC1=C(C(=O)C(=C(S1)SC)C2=CC=CC=C2)C3=CC=CC=C3
Structure:
CAS RN: 24215-64-3
CAS Name: 3,5-dimethyl-2,6-bis(methylthio)-4-thiopyranone
OPENEYE Name: 3,5-dimethyl-2,6-bis(methylsulfanyl)thiopyran-4-one
IUPAC Name: 3,5-dimethyl-2,6-bis(methylsulfanyl)thiopyran-4-one
SYSTEMATIC NAME: 3,5-dimethyl-2,6-bis(methylsulfanyl)thiopyran-4-one
MOLECULAR FORMULA: C9H12OS3
MOLECULAR WEIGHT: 232.38598
SMILES: CC1=C(SC(=C(C1=O)C)SC)SC
Structure:
CAS RN: 13700-78-2
CAS Name: 2,6-bis(methylthio)-4-oxothiopyran-3,5-dicarboxylic acid diethyl ester
OPENEYE Name: diethyl 2,6-bis(methylsulfanyl)-4-oxo-thiopyran-3,5-dicarboxylate
IUPAC Name: diethyl 2,6-bis(methylsulfanyl)-4-oxothiopyran-3,5-dicarboxylate
SYSTEMATIC NAME: diethyl 2,6-bis(methylsulfanyl)-4-oxidanylidene-thiopyran-3,5-dicarboxylate
MOLECULAR FORMULA: C13H16O5S3
MOLECULAR WEIGHT: 348.45814
SMILES: CCOC(=O)C1=C(SC(=C(C1=O)C(=O)OCC)SC)SC
Structure:
CAS RN: 100193-57-5
CAS Name: 1-(5-ethyl-1-phenyl-1,2,4-triazol-3-yl)ethanone
OPENEYE Name: 1-(5-ethyl-1-phenyl-1,2,4-triazol-3-yl)ethanone
IUPAC Name: 1-(5-ethyl-1-phenyl-1,2,4-triazol-3-yl)ethanone
SYSTEMATIC NAME: 1-(5-ethyl-1-phenyl-1,2,4-triazol-3-yl)ethanone
MOLECULAR FORMULA: C12H13N3O
MOLECULAR WEIGHT: 215.25112
SMILES: CCC1=NC(=NN1C2=CC=CC=C2)C(=O)C
Structure:
CAS RN: 854737-98-7
CAS Name: 1-[1-(2,4-dichlorophenyl)-5-methyl-1,2,4-triazol-3-yl]ethanone
OPENEYE Name: 1-[1-(2,4-dichlorophenyl)-5-methyl-1,2,4-triazol-3-yl]ethanone
IUPAC Name: 1-[1-(2,4-dichlorophenyl)-5-methyl-1,2,4-triazol-3-yl]ethanone
SYSTEMATIC NAME: 1-[1-(2,4-dichlorophenyl)-5-methyl-1,2,4-triazol-3-yl]ethanone
MOLECULAR FORMULA: C11H9Cl2N3O
MOLECULAR WEIGHT: 270.11466
SMILES: CC1=NC(=NN1C2=C(C=C(C=C2)Cl)Cl)C(=O)C
Structure:
CAS RN: 1000576-39-5
CAS Name: 1-bromo-2-fluoro-4-isothiocyanato-3-methylbenzene
OPENEYE Name: 1-bromo-2-fluoro-4-isothiocyanato-3-methyl-benzene
IUPAC Name: 1-bromo-2-fluoro-4-isothiocyanato-3-methylbenzene
SYSTEMATIC NAME: 1-bromanyl-2-fluoranyl-4-isothiocyanato-3-methyl-benzene
MOLECULAR FORMULA: C8H5BrFNS
MOLECULAR WEIGHT: 246.099403
SMILES: CC1=C(C=CC(=C1F)Br)N=C=S
Structure:
CAS RN: 152381-94-7
CAS Name: [[(4-methylphenyl)thio]-(methylthio)methylidene]cyanamide
OPENEYE Name: [methylsulfanyl(p-tolylsulfanyl)methylene]cyanamide
IUPAC Name: [(4-methylphenyl)sulfanyl-methylsulfanylmethylidene]cyanamide
SYSTEMATIC NAME: [(4-methylphenyl)sulfanyl-methylsulfanyl-methylidene]cyanamide
MOLECULAR FORMULA: C10H10N2S2
MOLECULAR WEIGHT: 222.3298
SMILES: CC1=CC=C(C=C1)SC(=NC#N)SC
Structure:
CAS RN: 1000339-73-0
CAS Name: 5-(bromomethyl)-2-methyl-4-(trifluoromethyl)thiazole
OPENEYE Name: 5-(bromomethyl)-2-methyl-4-(trifluoromethyl)thiazole
IUPAC Name: 5-(bromomethyl)-2-methyl-4-(trifluoromethyl)-1,3-thiazole
SYSTEMATIC NAME: 5-(bromomethyl)-2-methyl-4-(trifluoromethyl)-1,3-thiazole
MOLECULAR FORMULA: C6H5BrF3NS
MOLECULAR WEIGHT: 260.07481
SMILES: CC1=NC(=C(S1)CBr)C(F)(F)F
Structure:
CAS RN: 152382-32-6
CAS Name: [(methylthio)-[(2,4,6-trimethylphenyl)thio]methylidene]cyanamide
OPENEYE Name: [methylsulfanyl-(2,4,6-trimethylphenyl)sulfanyl-methylene]cyanamide
IUPAC Name: [methylsulfanyl-(2,4,6-trimethylphenyl)sulfanylmethylidene]cyanamide
SYSTEMATIC NAME: [methylsulfanyl-(2,4,6-trimethylphenyl)sulfanyl-methylidene]cyanamide
MOLECULAR FORMULA: C12H14N2S2
MOLECULAR WEIGHT: 250.38296
SMILES: CC1=CC(=C(C(=C1)C)SC(=NC#N)SC)C
Structure:
CAS RN: 942474-24-0
CAS Name: 2-bromo-5-methylsulfonylaniline
OPENEYE Name: 2-bromo-5-methylsulfonyl-aniline
IUPAC Name: 2-bromo-5-methylsulfonylaniline
SYSTEMATIC NAME: 2-bromanyl-5-methylsulfonyl-aniline
MOLECULAR FORMULA: C7H8BrNO2S
MOLECULAR WEIGHT: 250.11292
SMILES: CS(=O)(=O)C1=CC(=C(C=C1)Br)N
Structure:
CAS RN: 942474-21-7
CAS Name: 2-[4-(2-methylsulfonylphenyl)-1-piperazinyl]ethanol
OPENEYE Name: 2-[4-(2-methylsulfonylphenyl)piperazin-1-yl]ethanol
IUPAC Name: 2-[4-(2-methylsulfonylphenyl)piperazin-1-yl]ethanol
SYSTEMATIC NAME: 2-[4-(2-methylsulfonylphenyl)piperazin-1-yl]ethanol
MOLECULAR FORMULA: C13H20N2O3S
MOLECULAR WEIGHT: 284.3745
SMILES: CS(=O)(=O)C1=CC=CC=C1N2CCN(CC2)CCO
Structure:
CAS RN: 886732-29-2
CAS Name: 3-cyano-5-fluorobenzoic acid methyl ester
OPENEYE Name: methyl 3-cyano-5-fluoro-benzoate
IUPAC Name: methyl 3-cyano-5-fluorobenzoate
SYSTEMATIC NAME: methyl 3-cyano-5-fluoranyl-benzoate
MOLECULAR FORMULA: C9H6FNO2
MOLECULAR WEIGHT: 179.147843
SMILES: COC(=O)C1=CC(=CC(=C1)C#N)F
Structure:
CAS RN: 948293-14-9
CAS Name: 5-(4-bromophenyl)-2-(phenylmethyl)-3-pyrazolecarboxylic acid ethyl ester
OPENEYE Name: ethyl 2-benzyl-5-(4-bromophenyl)pyrazole-3-carboxylate
IUPAC Name: ethyl 2-benzyl-5-(4-bromophenyl)pyrazole-3-carboxylate
SYSTEMATIC NAME: ethyl 5-(4-bromophenyl)-2-(phenylmethyl)pyrazole-3-carboxylate
MOLECULAR FORMULA: C19H17BrN2O2
MOLECULAR WEIGHT: 385.25448
SMILES: CCOC(=O)C1=CC(=NN1CC2=CC=CC=C2)C3=CC=C(C=C3)Br
Structure:
CAS RN: 942473-99-6
CAS Name: 4-bromo-7-methyl-1,3-benzothiazol-2-amine
OPENEYE Name: 4-bromo-7-methyl-1,3-benzothiazol-2-amine
IUPAC Name: 4-bromo-7-methyl-1,3-benzothiazol-2-amine
SYSTEMATIC NAME: 4-bromanyl-7-methyl-1,3-benzothiazol-2-amine
MOLECULAR FORMULA: C8H7BrN2S
MOLECULAR WEIGHT: 243.12358
SMILES: CC1=C2C(=C(C=C1)Br)N=C(S2)N
Structure:
CAS RN: 942473-98-5
CAS Name: 6-bromo-5,7-difluoro-1,3-benzothiazol-2-amine
OPENEYE Name: 6-bromo-5,7-difluoro-1,3-benzothiazol-2-amine
IUPAC Name: 6-bromo-5,7-difluoro-1,3-benzothiazol-2-amine
SYSTEMATIC NAME: 6-bromanyl-5,7-bis(fluoranyl)-1,3-benzothiazol-2-amine
MOLECULAR FORMULA: C7H3BrF2N2S
MOLECULAR WEIGHT: 265.077926
SMILES: C1=C2C(=C(C(=C1F)Br)F)SC(=N2)N
Structure:
CAS RN: 872365-04-3
CAS Name: 7-chloro-4-fluoro-1,3-benzothiazol-2-amine
OPENEYE Name: 7-chloro-4-fluoro-1,3-benzothiazol-2-amine
IUPAC Name: 7-chloro-4-fluoro-1,3-benzothiazol-2-amine
SYSTEMATIC NAME: 7-chloranyl-4-fluoranyl-1,3-benzothiazol-2-amine
MOLECULAR FORMULA: C7H4ClFN2S
MOLECULAR WEIGHT: 202.636463
SMILES: C1=CC(=C2C(=C1F)N=C(S2)N)Cl
Structure:
CAS RN: 942473-92-9
CAS Name: 5-chloro-4-fluoro-1,3-benzothiazol-2-amine
OPENEYE Name: 5-chloro-4-fluoro-1,3-benzothiazol-2-amine
IUPAC Name: 5-chloro-4-fluoro-1,3-benzothiazol-2-amine
SYSTEMATIC NAME: 5-chloranyl-4-fluoranyl-1,3-benzothiazol-2-amine
MOLECULAR FORMULA: C7H4ClFN2S
MOLECULAR WEIGHT: 202.636463
SMILES: C1=CC(=C(C2=C1SC(=N2)N)F)Cl
Structure:
CAS RN: 942473-91-8
CAS Name: 4-chloro-7-fluoro-1,3-benzothiazol-2-amine
OPENEYE Name: 4-chloro-7-fluoro-1,3-benzothiazol-2-amine
IUPAC Name: 4-chloro-7-fluoro-1,3-benzothiazol-2-amine
SYSTEMATIC NAME: 4-chloranyl-7-fluoranyl-1,3-benzothiazol-2-amine
MOLECULAR FORMULA: C7H4ClFN2S
MOLECULAR WEIGHT: 202.636463
SMILES: C1=CC(=C2C(=C1F)SC(=N2)N)Cl
Structure:
CAS RN: 942473-90-7
CAS Name: 7-bromo-4-fluoro-1,3-benzothiazol-2-amine
OPENEYE Name: 7-bromo-4-fluoro-1,3-benzothiazol-2-amine
IUPAC Name: 7-bromo-4-fluoro-1,3-benzothiazol-2-amine
SYSTEMATIC NAME: 7-bromanyl-4-fluoranyl-1,3-benzothiazol-2-amine
MOLECULAR FORMULA: C7H4BrFN2S
MOLECULAR WEIGHT: 247.087463
SMILES: C1=CC(=C2C(=C1F)N=C(S2)N)Br
Structure:
CAS RN: 948292-12-4
CAS Name: 4-chloro-3-oxo-5-isothiazolecarboxylic acid
OPENEYE Name: 4-chloro-3-oxo-isothiazole-5-carboxylic acid
IUPAC Name: 4-chloro-3-oxo-1,2-thiazole-5-carboxylic acid
SYSTEMATIC NAME: 4-chloranyl-3-oxidanylidene-1,2-thiazole-5-carboxylic acid
MOLECULAR FORMULA: C4H2ClNO3S
MOLECULAR WEIGHT: 179.58158
SMILES: C1(=C(SNC1=O)C(=O)O)Cl
Structure:
CAS RN: 948292-06-6
CAS Name: 2-(3-fluorophenyl)-4-methyl-5-thiazolecarboxylic acid ethyl ester
OPENEYE Name: ethyl 2-(3-fluorophenyl)-4-methyl-thiazole-5-carboxylate
IUPAC Name: ethyl 2-(3-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
SYSTEMATIC NAME: ethyl 2-(3-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
MOLECULAR FORMULA: C13H12FNO2S
MOLECULAR WEIGHT: 265.303283
SMILES: CCOC(=O)C1=C(N=C(S1)C2=CC(=CC=C2)F)C
Structure:
CAS RN: 942473-86-1
CAS Name: 4-bromo-3-fluorobenzenethiol
OPENEYE Name: 4-bromo-3-fluoro-benzenethiol
IUPAC Name: 4-bromo-3-fluorobenzenethiol
SYSTEMATIC NAME: 4-bromanyl-3-fluoranyl-benzenethiol
MOLECULAR FORMULA: C6H4BrFS
MOLECULAR WEIGHT: 207.063363
SMILES: C1=CC(=C(C=C1S)F)Br
Structure:
CAS RN: 942473-85-0
CAS Name: 3-bromo-4-fluorobenzenethiol
OPENEYE Name: 3-bromo-4-fluoro-benzenethiol
IUPAC Name: 3-bromo-4-fluorobenzenethiol
SYSTEMATIC NAME: 3-bromanyl-4-fluoranyl-benzenethiol
MOLECULAR FORMULA: C6H4BrFS
MOLECULAR WEIGHT: 207.063363
SMILES: C1=CC(=C(C=C1S)Br)F
Structure:
CAS RN: 773853-92-2
CAS Name: 2-bromo-4-fluorobenzenethiol
OPENEYE Name: 2-bromo-4-fluoro-benzenethiol
IUPAC Name: 2-bromo-4-fluorobenzenethiol
SYSTEMATIC NAME: 2-bromanyl-4-fluoranyl-benzenethiol
MOLECULAR FORMULA: C6H4BrFS
MOLECULAR WEIGHT: 207.063363
SMILES: C1=CC(=C(C=C1F)Br)S
Structure:
CAS RN: 942473-76-9
CAS Name: 1-(diphenylmethyl)-3-[(4-fluorophenyl)thio]azetidine
OPENEYE Name: 1-benzhydryl-3-(4-fluorophenyl)sulfanyl-azetidine
IUPAC Name: 1-benzhydryl-3-(4-fluorophenyl)sulfanylazetidine
SYSTEMATIC NAME: 1-(diphenylmethyl)-3-(4-fluorophenyl)sulfanyl-azetidine
MOLECULAR FORMULA: C22H20FNS
MOLECULAR WEIGHT: 349.464303
SMILES: C1C(CN1C(C2=CC=CC=C2)C3=CC=CC=C3)SC4=CC=C(C=C4)F
Structure:
CAS RN: 942473-68-9
CAS Name: 1-[4-bromo-3-(trifluoromethyl)phenyl]sulfonylpiperazine
OPENEYE Name: 1-[4-bromo-3-(trifluoromethyl)phenyl]sulfonylpiperazine
IUPAC Name: 1-[4-bromo-3-(trifluoromethyl)phenyl]sulfonylpiperazine
SYSTEMATIC NAME: 1-[4-bromanyl-3-(trifluoromethyl)phenyl]sulfonylpiperazine
MOLECULAR FORMULA: C11H12BrF3N2O2S
MOLECULAR WEIGHT: 373.18939
SMILES: C1CN(CCN1)S(=O)(=O)C2=CC(=C(C=C2)Br)C(F)(F)F
Structure:
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