Monday, November 26, 2012

All Chemical Compounds Information




Product OPENEYE NAME: 3-acetyl-N'-(benzenesulfonyl)thiazolidine-4-carbohydrazide
CAS Name: 3-acetyl-N'-(benzenesulfonyl)-4-thiazolidinecarbohydrazide
IUPAC NAME: 3-acetyl-N'-(benzenesulfonyl)-1,3-thiazolidine-4-carbohydrazide
SYSTEMATIC NAME: 3-ethanoyl-N'-(phenylsulfonyl)-1,3-thiazolidine-4-carbohydrazide
MOLECULAR FORMULA: C12H15N3O4S2
MOLECULAR WEIGHT: 329.3952
SMILES: CC(=O)N1CSCC1C(=O)NNS(=O)(=O)C2=CC=CC=C2
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Product OPENEYE NAME: N-phenyl-5-[[5-(trifluoromethyl)-2-pyridyl]sulfanylmethyl]furan-2-carboxamide
CAS Name: N-phenyl-5-[[[5-(trifluoromethyl)-2-pyridinyl]thio]methyl]-2-furancarboxamide
IUPAC NAME: N-phenyl-5-[[5-(trifluoromethyl)pyridin-2-yl]sulfanylmethyl]furan-2-carboxamide
SYSTEMATIC NAME: N-phenyl-5-[[5-(trifluoromethyl)pyridin-2-yl]sulfanylmethyl]furan-2-carboxamide
MOLECULAR FORMULA: C18H13F3N2O2S
MOLECULAR WEIGHT: 378.36823
SMILES: C1=CC=C(C=C1)NC(=O)C2=CC=C(O2)CSC3=NC=C(C=C3)C(F)(F)F
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Product OPENEYE NAME: (2,4-dichlorophenyl) 5-[[5-(trifluoromethyl)-2-pyridyl]sulfanylmethyl]furan-2-carboxylate
CAS Name: 5-[[[5-(trifluoromethyl)-2-pyridinyl]thio]methyl]-2-furancarboxylic acid (2,4-dichlorophenyl) ester
IUPAC NAME: (2,4-dichlorophenyl) 5-[[5-(trifluoromethyl)pyridin-2-yl]sulfanylmethyl]furan-2-carboxylate
SYSTEMATIC NAME: (2,4-dichlorophenyl) 5-[[5-(trifluoromethyl)pyridin-2-yl]sulfanylmethyl]furan-2-carboxylate
MOLECULAR FORMULA: C18H10Cl2F3NO3S
MOLECULAR WEIGHT: 448.24311
SMILES: C1=CC(=C(C=C1Cl)Cl)OC(=O)C2=CC=C(O2)CSC3=NC=C(C=C3)C(F)(F)F
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Product OPENEYE NAME: (isopropylideneamino) 5-[[5-(trifluoromethyl)-2-pyridyl]sulfanylmethyl]furan-2-carboxylate
CAS Name: 5-[[[5-(trifluoromethyl)-2-pyridinyl]thio]methyl]-2-furancarboxylic acid (propan-2-ylideneamino) ester
IUPAC NAME: (propan-2-ylideneamino) 5-[[5-(trifluoromethyl)pyridin-2-yl]sulfanylmethyl]furan-2-carboxylate
SYSTEMATIC NAME: (propan-2-ylideneamino) 5-[[5-(trifluoromethyl)pyridin-2-yl]sulfanylmethyl]furan-2-carboxylate
MOLECULAR FORMULA: C15H13F3N2O3S
MOLECULAR WEIGHT: 358.33553
SMILES: CC(=NOC(=O)C1=CC=C(O1)CSC2=NC=C(C=C2)C(F)(F)F)C
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Product OPENEYE NAME: 3-acetyl-N'-[3-(trifluoromethyl)phenyl]sulfonyl-thiazolidine-4-carbohydrazide
CAS Name: 3-acetyl-N'-[3-(trifluoromethyl)phenyl]sulfonyl-4-thiazolidinecarbohydrazide
IUPAC NAME: 3-acetyl-N'-[3-(trifluoromethyl)phenyl]sulfonyl-1,3-thiazolidine-4-carbohydrazide
SYSTEMATIC NAME: 3-ethanoyl-N'-[3-(trifluoromethyl)phenyl]sulfonyl-1,3-thiazolidine-4-carbohydrazide
MOLECULAR FORMULA: C13H14F3N3O4S2
MOLECULAR WEIGHT: 397.39317
SMILES: CC(=O)N1CSCC1C(=O)NNS(=O)(=O)C2=CC=CC(=C2)C(F)(F)F
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Product OPENEYE NAME: S-tert-butyl 2-[2-[3-(trifluoromethyl)phenyl]sulfonylethylsulfanyl]pyridine-3-carbothioate
CAS Name: 2-[2-[3-(trifluoromethyl)phenyl]sulfonylethylthio]-3-pyridinecarbothioic acid S-tert-butyl ester
IUPAC NAME: S-tert-butyl 2-[2-[3-(trifluoromethyl)phenyl]sulfonylethylsulfanyl]pyridine-3-carbothioate
SYSTEMATIC NAME: S-tert-butyl 2-[2-[3-(trifluoromethyl)phenyl]sulfonylethylsulfanyl]pyridine-3-carbothioate
MOLECULAR FORMULA: C19H20F3NO3S3
MOLECULAR WEIGHT: 463.55721
SMILES: CC(C)(C)SC(=O)C1=C(N=CC=C1)SCCS(=O)(=O)C2=CC=CC(=C2)C(F)(F)F
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Product OPENEYE NAME: morpholino-[5-[[5-(trifluoromethyl)-2-pyridyl]sulfonylmethyl]-2-furyl]methanone
CAS Name: 4-morpholinyl-[5-[[5-(trifluoromethyl)-2-pyridinyl]sulfonylmethyl]-2-furanyl]methanone
IUPAC NAME: morpholin-4-yl-[5-[[5-(trifluoromethyl)pyridin-2-yl]sulfonylmethyl]furan-2-yl]methanone
SYSTEMATIC NAME: morpholin-4-yl-[5-[[5-(trifluoromethyl)pyridin-2-yl]sulfonylmethyl]furan-2-yl]methanone
MOLECULAR FORMULA: C16H15F3N2O5S
MOLECULAR WEIGHT: 404.36091
SMILES: C1COCCN1C(=O)C2=CC=C(O2)CS(=O)(=O)C3=NC=C(C=C3)C(F)(F)F
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Product OPENEYE NAME: (2,4-dichlorophenyl) 5-[[5-(trifluoromethyl)-2-pyridyl]sulfonylmethyl]furan-2-carboxylate
CAS Name: 5-[[5-(trifluoromethyl)-2-pyridinyl]sulfonylmethyl]-2-furancarboxylic acid (2,4-dichlorophenyl) ester
IUPAC NAME: (2,4-dichlorophenyl) 5-[[5-(trifluoromethyl)pyridin-2-yl]sulfonylmethyl]furan-2-carboxylate
SYSTEMATIC NAME: (2,4-dichlorophenyl) 5-[[5-(trifluoromethyl)pyridin-2-yl]sulfonylmethyl]furan-2-carboxylate
MOLECULAR FORMULA: C18H10Cl2F3NO5S
MOLECULAR WEIGHT: 480.24191
SMILES: C1=CC(=C(C=C1Cl)Cl)OC(=O)C2=CC=C(O2)CS(=O)(=O)C3=NC=C(C=C3)C(F)(F)F
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Product OPENEYE NAME: phenyl 5-[[5-(trifluoromethyl)-2-pyridyl]sulfonylmethyl]furan-2-carboxylate
CAS Name: 5-[[5-(trifluoromethyl)-2-pyridinyl]sulfonylmethyl]-2-furancarboxylic acid phenyl ester
IUPAC NAME: phenyl 5-[[5-(trifluoromethyl)pyridin-2-yl]sulfonylmethyl]furan-2-carboxylate
SYSTEMATIC NAME: phenyl 5-[[5-(trifluoromethyl)pyridin-2-yl]sulfonylmethyl]furan-2-carboxylate
MOLECULAR FORMULA: C18H12F3NO5S
MOLECULAR WEIGHT: 411.35179
SMILES: C1=CC=C(C=C1)OC(=O)C2=CC=C(O2)CS(=O)(=O)C3=NC=C(C=C3)C(F)(F)F
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Product OPENEYE NAME: (4-methylsulfanylphenyl) 4-chlorobenzoate
CAS Name: 4-chlorobenzoic acid [4-(methylthio)phenyl] ester
IUPAC NAME: (4-methylsulfanylphenyl) 4-chlorobenzoate
SYSTEMATIC NAME: (4-methylsulfanylphenyl) 4-chloranylbenzoate
MOLECULAR FORMULA: C14H11ClO2S
MOLECULAR WEIGHT: 278.75394
SMILES: CSC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)Cl
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Product OPENEYE NAME: methyl 3-(4-chlorobenzoyl)thiazolidine-2-carboxylate
CAS Name: 3-[(4-chlorophenyl)-oxomethyl]-2-thiazolidinecarboxylic acid methyl ester
IUPAC NAME: methyl 3-(4-chlorobenzoyl)-1,3-thiazolidine-2-carboxylate
SYSTEMATIC NAME: methyl 3-(4-chlorophenyl)carbonyl-1,3-thiazolidine-2-carboxylate
MOLECULAR FORMULA: C12H12ClNO3S
MOLECULAR WEIGHT: 285.74658
SMILES: COC(=O)C1N(CCS1)C(=O)C2=CC=C(C=C2)Cl
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Product OPENEYE NAME: [4-(methylsulfonimidoyl)phenyl] 4-chlorobenzoate; 2,4,6-trimethylbenzenesulfonic acid
CAS Name: 4-chlorobenzoic acid [4-(methylsulfonimidoyl)phenyl] ester; 2,4,6-trimethylbenzenesulfonic acid
IUPAC NAME: [4-(methylsulfonimidoyl)phenyl] 4-chlorobenzoate; 2,4,6-trimethylbenzenesulfonic acid
SYSTEMATIC NAME: [4-(methylsulfonimidoyl)phenyl] 4-chloranylbenzoate; 2,4,6-trimethylbenzenesulfonic acid
MOLECULAR FORMULA: C23H24ClNO6S2
MOLECULAR WEIGHT: 510.02276
SMILES: CC1=CC(=C(C(=C1)C)S(=O)(=O)O)C.CS(=N)(=O)C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)Cl
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Product OPENEYE NAME: [4-(methylsulfonimidoyl)phenyl] 4-chlorobenzoate
CAS Name: 4-chlorobenzoic acid [4-(methylsulfonimidoyl)phenyl] ester
IUPAC NAME: [4-(methylsulfonimidoyl)phenyl] 4-chlorobenzoate
SYSTEMATIC NAME: [4-(methylsulfonimidoyl)phenyl] 4-chloranylbenzoate
MOLECULAR FORMULA: C14H12ClNO3S
MOLECULAR WEIGHT: 309.76798
SMILES: CS(=N)(=O)C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)Cl
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Product OPENEYE NAME: ethyl 1,3-dimethyl-4-[[5-(trifluoromethyl)-2-pyridyl]sulfanyl]pyrazolo[3,4-b]pyridine-5-carboxylate
CAS Name: 1,3-dimethyl-4-[[5-(trifluoromethyl)-2-pyridinyl]thio]-5-pyrazolo[3,4-b]pyridinecarboxylic acid ethyl ester
IUPAC NAME: ethyl 1,3-dimethyl-4-[5-(trifluoromethyl)pyridin-2-yl]sulfanylpyrazolo[3,4-b]pyridine-5-carboxylate
SYSTEMATIC NAME: ethyl 1,3-dimethyl-4-[5-(trifluoromethyl)pyridin-2-yl]sulfanyl-pyrazolo[3,4-b]pyridine-5-carboxylate
MOLECULAR FORMULA: C17H15F3N4O2S
MOLECULAR WEIGHT: 396.38681
SMILES: CCOC(=O)C1=CN=C2C(=C1SC3=NC=C(C=C3)C(F)(F)F)C(=NN2C)C
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Product OPENEYE NAME: 3-(4-chlorobenzoyl)thiazolidine-2-carboxylic acid
CAS Name: 3-[(4-chlorophenyl)-oxomethyl]-2-thiazolidinecarboxylic acid
IUPAC NAME: 3-(4-chlorobenzoyl)-1,3-thiazolidine-2-carboxylic acid
SYSTEMATIC NAME: 3-(4-chlorophenyl)carbonyl-1,3-thiazolidine-2-carboxylic acid
MOLECULAR FORMULA: C11H10ClNO3S
MOLECULAR WEIGHT: 271.72
SMILES: C1CSC(N1C(=O)C2=CC=C(C=C2)Cl)C(=O)O
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Product OPENEYE NAME: 2-nitro-4-thiomorpholino-benzonitrile
CAS Name: 2-nitro-4-thiomorpholin-4-ylbenzonitrile
IUPAC NAME: 2-nitro-4-thiomorpholin-4-ylbenzonitrile
SYSTEMATIC NAME: 2-nitro-4-thiomorpholin-4-yl-benzenecarbonitrile
MOLECULAR FORMULA: C11H11N3O2S
MOLECULAR WEIGHT: 249.28894
SMILES: C1CSCCN1C2=CC(=C(C=C2)C#N)[N+](=O)[O-]
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Product OPENEYE NAME: 3-(2-thienylsulfanyl)pyrazine-2-carbonitrile
CAS Name: 3-(thiophen-2-ylthio)-2-pyrazinecarbonitrile
IUPAC NAME: 3-thiophen-2-ylsulfanylpyrazine-2-carbonitrile
SYSTEMATIC NAME: 3-thiophen-2-ylsulfanylpyrazine-2-carbonitrile
MOLECULAR FORMULA: C9H5N3S2
MOLECULAR WEIGHT: 219.2861
SMILES: C1=CSC(=C1)SC2=NC=CN=C2C#N
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Product OPENEYE NAME: 3-(2-thienylsulfonyl)pyrazine-2-carbonitrile
CAS Name: 3-thiophen-2-ylsulfonyl-2-pyrazinecarbonitrile
IUPAC NAME: 3-thiophen-2-ylsulfonylpyrazine-2-carbonitrile
SYSTEMATIC NAME: 3-thiophen-2-ylsulfonylpyrazine-2-carbonitrile
MOLECULAR FORMULA: C9H5N3O2S2
MOLECULAR WEIGHT: 251.2849
SMILES: C1=CSC(=C1)S(=O)(=O)C2=NC=CN=C2C#N
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Product OPENEYE NAME: (4-methylsulfanylphenyl) N-phenylcarbamate
CAS Name: N-phenylcarbamic acid [4-(methylthio)phenyl] ester
IUPAC NAME: (4-methylsulfanylphenyl) N-phenylcarbamate
SYSTEMATIC NAME: (4-methylsulfanylphenyl) N-phenylcarbamate
MOLECULAR FORMULA: C14H13NO2S
MOLECULAR WEIGHT: 259.32352
SMILES: CSC1=CC=C(C=C1)OC(=O)NC2=CC=CC=C2
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Product OPENEYE NAME: 3,4-dimethyl-5-methylsulfinyl-thieno[2,3-b]thiophene
CAS Name: 3,4-dimethyl-5-methylsulfinylthieno[2,3-b]thiophene
IUPAC NAME: 3,4-dimethyl-5-methylsulfinylthieno[2,3-b]thiophene
SYSTEMATIC NAME: 3,4-dimethyl-5-methylsulfinyl-thieno[2,3-b]thiophene
MOLECULAR FORMULA: C9H10OS3
MOLECULAR WEIGHT: 230.3701
SMILES: CC1=CSC2=C1C(=C(S2)S(=O)C)C
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Product OPENEYE NAME: 2-[1-(2-thienyl)ethylideneamino]oxyacetic acid
CAS Name: 2-(1-thiophen-2-ylethylideneamino)oxyacetic acid
IUPAC NAME: 2-(1-thiophen-2-ylethylideneamino)oxyacetic acid
SYSTEMATIC NAME: 2-(1-thiophen-2-ylethylideneamino)oxyethanoic acid
MOLECULAR FORMULA: C8H9NO3S
MOLECULAR WEIGHT: 199.22696
SMILES: CC(=NOCC(=O)O)C1=CC=CS1
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