Thursday, November 29, 2012

All Chemical Compounds Information




Product OPENEYE NAME: ethyl 2-methylsulfanyl-4-pyrrolidin-1-yl-8-(trifluoromethyl)quinoline-3-carboxylate
CAS Name: 2-(methylthio)-4-(1-pyrrolidinyl)-8-(trifluoromethyl)-3-quinolinecarboxylic acid ethyl ester
IUPAC NAME: ethyl 2-methylsulfanyl-4-pyrrolidin-1-yl-8-(trifluoromethyl)quinoline-3-carboxylate
SYSTEMATIC NAME: ethyl 2-methylsulfanyl-4-pyrrolidin-1-yl-8-(trifluoromethyl)quinoline-3-carboxylate
MOLECULAR FORMULA: C18H19F3N2O2S
MOLECULAR WEIGHT: 384.41587
SMILES: CCOC(=O)C1=C(C2=C(C(=CC=C2)C(F)(F)F)N=C1SC)N3CCCC3
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Product OPENEYE NAME: ethyl 6-chloro-2-methylsulfanyl-4-phenoxy-quinoline-3-carboxylate
CAS Name: 6-chloro-2-(methylthio)-4-phenoxy-3-quinolinecarboxylic acid ethyl ester
IUPAC NAME: ethyl 6-chloro-2-methylsulfanyl-4-phenoxyquinoline-3-carboxylate
SYSTEMATIC NAME: ethyl 6-chloranyl-2-methylsulfanyl-4-phenoxy-quinoline-3-carboxylate
MOLECULAR FORMULA: C19H16ClNO3S
MOLECULAR WEIGHT: 373.85324
SMILES: CCOC(=O)C1=C(C2=C(C=CC(=C2)Cl)N=C1SC)OC3=CC=CC=C3
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Product OPENEYE NAME: 9-benzyl-9-azabicyclo[3.3.1]nonan-3-one oxime
CAS Name: 9-(phenylmethyl)-9-azabicyclo[3.3.1]nonan-3-one oxime
IUPAC NAME: N-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-ylidene)hydroxylamine
SYSTEMATIC NAME: N-[9-(phenylmethyl)-9-azabicyclo[3.3.1]nonan-3-ylidene]hydroxylamine
MOLECULAR FORMULA: C15H20N2O
MOLECULAR WEIGHT: 244.3321
SMILES: C1CC2CC(=NO)CC(C1)N2CC3=CC=CC=C3
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Product OPENEYE NAME: 2-(2,1,3-benzoxadiazol-5-yloxy)-5-nitro-benzonitrile
CAS Name: 2-(2,1,3-benzoxadiazol-5-yloxy)-5-nitrobenzonitrile
IUPAC NAME: 2-(2,1,3-benzoxadiazol-5-yloxy)-5-nitrobenzonitrile
SYSTEMATIC NAME: 2-(2,1,3-benzoxadiazol-5-yloxy)-5-nitro-benzenecarbonitrile
MOLECULAR FORMULA: C13H6N4O4
MOLECULAR WEIGHT: 282.21114
SMILES: C1=CC(=C(C=C1[N+](=O)[O-])C#N)OC2=CC3=NON=C3C=C2
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Product OPENEYE NAME: ethyl 8-chloro-4-(3-chlorophenoxy)-2-methylsulfanyl-quinoline-3-carboxylate
CAS Name: 8-chloro-4-(3-chlorophenoxy)-2-(methylthio)-3-quinolinecarboxylic acid ethyl ester
IUPAC NAME: ethyl 8-chloro-4-(3-chlorophenoxy)-2-methylsulfanylquinoline-3-carboxylate
SYSTEMATIC NAME: ethyl 8-chloranyl-4-(3-chloranylphenoxy)-2-methylsulfanyl-quinoline-3-carboxylate
MOLECULAR FORMULA: C19H15Cl2NO3S
MOLECULAR WEIGHT: 408.2983
SMILES: CCOC(=O)C1=C(C2=C(C(=CC=C2)Cl)N=C1SC)OC3=CC(=CC=C3)Cl
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Product OPENEYE NAME: ethyl 4-(4-methoxyphenoxy)-2-methylsulfanyl-8-(trifluoromethyl)quinoline-3-carboxylate
CAS Name: 4-(4-methoxyphenoxy)-2-(methylthio)-8-(trifluoromethyl)-3-quinolinecarboxylic acid ethyl ester
IUPAC NAME: ethyl 4-(4-methoxyphenoxy)-2-methylsulfanyl-8-(trifluoromethyl)quinoline-3-carboxylate
SYSTEMATIC NAME: ethyl 4-(4-methoxyphenoxy)-2-methylsulfanyl-8-(trifluoromethyl)quinoline-3-carboxylate
MOLECULAR FORMULA: C21H18F3NO4S
MOLECULAR WEIGHT: 437.43213
SMILES: CCOC(=O)C1=C(C2=C(C(=CC=C2)C(F)(F)F)N=C1SC)OC3=CC=C(C=C3)OC
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Product OPENEYE NAME: N-(4-methoxyphenyl)-2-(2,3,5,6-tetrachlorophenyl)sulfanyl-acetamide
CAS Name: N-(4-methoxyphenyl)-2-[(2,3,5,6-tetrachlorophenyl)thio]acetamide
IUPAC NAME: N-(4-methoxyphenyl)-2-(2,3,5,6-tetrachlorophenyl)sulfanylacetamide
SYSTEMATIC NAME: N-(4-methoxyphenyl)-2-[2,3,5,6-tetrakis(chloranyl)phenyl]sulfanyl-ethanamide
MOLECULAR FORMULA: C15H11Cl4NO2S
MOLECULAR WEIGHT: 411.13034
SMILES: COC1=CC=C(C=C1)NC(=O)CSC2=C(C(=CC(=C2Cl)Cl)Cl)Cl
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Product OPENEYE NAME: N-(4-chlorophenyl)-2-(2,3,5,6-tetrachlorophenyl)sulfanyl-acetamide
CAS Name: N-(4-chlorophenyl)-2-[(2,3,5,6-tetrachlorophenyl)thio]acetamide
IUPAC NAME: N-(4-chlorophenyl)-2-(2,3,5,6-tetrachlorophenyl)sulfanylacetamide
SYSTEMATIC NAME: N-(4-chlorophenyl)-2-[2,3,5,6-tetrakis(chloranyl)phenyl]sulfanyl-ethanamide
MOLECULAR FORMULA: C14H8Cl5NOS
MOLECULAR WEIGHT: 415.54942
SMILES: C1=CC(=CC=C1NC(=O)CSC2=C(C(=CC(=C2Cl)Cl)Cl)Cl)Cl
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Product OPENEYE NAME: N-(2-chlorophenyl)-2-(2,3,5,6-tetrachlorophenyl)sulfanyl-acetamide
CAS Name: N-(2-chlorophenyl)-2-[(2,3,5,6-tetrachlorophenyl)thio]acetamide
IUPAC NAME: N-(2-chlorophenyl)-2-(2,3,5,6-tetrachlorophenyl)sulfanylacetamide
SYSTEMATIC NAME: N-(2-chlorophenyl)-2-[2,3,5,6-tetrakis(chloranyl)phenyl]sulfanyl-ethanamide
MOLECULAR FORMULA: C14H8Cl5NOS
MOLECULAR WEIGHT: 415.54942
SMILES: C1=CC=C(C(=C1)NC(=O)CSC2=C(C(=CC(=C2Cl)Cl)Cl)Cl)Cl
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Product OPENEYE NAME: 9-(2-thienylmethyl)-9-azabicyclo[3.3.1]nonan-3-one oxime
CAS Name: 9-(thiophen-2-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-one oxime
IUPAC NAME: N-[9-(thiophen-2-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-ylidene]hydroxylamine
SYSTEMATIC NAME: N-[9-(thiophen-2-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-ylidene]hydroxylamine
MOLECULAR FORMULA: C13H18N2OS
MOLECULAR WEIGHT: 250.35982
SMILES: C1CC2CC(=NO)CC(C1)N2CC3=CC=CS3
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Product OPENEYE NAME: [(9-benzyl-9-azabicyclo[3.3.1]nonan-3-ylidene)amino] N-phenylcarbamate
CAS Name: N-phenylcarbamic acid [[9-(phenylmethyl)-9-azabicyclo[3.3.1]nonan-3-ylidene]amino] ester
IUPAC NAME: [(9-benzyl-9-azabicyclo[3.3.1]nonan-3-ylidene)amino] N-phenylcarbamate
SYSTEMATIC NAME: [[9-(phenylmethyl)-9-azabicyclo[3.3.1]nonan-3-ylidene]amino] N-phenylcarbamate
MOLECULAR FORMULA: C22H25N3O2
MOLECULAR WEIGHT: 363.4528
SMILES: C1CC2CC(=NOC(=O)NC3=CC=CC=C3)CC(C1)N2CC4=CC=CC=C4
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Product OPENEYE NAME: [[9-(2-thienylmethyl)-9-azabicyclo[3.3.1]nonan-3-ylidene]amino] N-phenylcarbamate
CAS Name: N-phenylcarbamic acid [[9-(thiophen-2-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-ylidene]amino] ester
IUPAC NAME: [[9-(thiophen-2-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-ylidene]amino] N-phenylcarbamate
SYSTEMATIC NAME: [[9-(thiophen-2-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-ylidene]amino] N-phenylcarbamate
MOLECULAR FORMULA: C20H23N3O2S
MOLECULAR WEIGHT: 369.48052
SMILES: C1CC2CC(=NOC(=O)NC3=CC=CC=C3)CC(C1)N2CC4=CC=CS4
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Product OPENEYE NAME: [(9-benzyl-9-azabicyclo[3.3.1]nonan-3-ylidene)amino] 3-methylsulfanyl-1-phenyl-pyrazole-4-carboxylate
CAS Name: 3-(methylthio)-1-phenyl-4-pyrazolecarboxylic acid [[9-(phenylmethyl)-9-azabicyclo[3.3.1]nonan-3-ylidene]amino] ester
IUPAC NAME: [(9-benzyl-9-azabicyclo[3.3.1]nonan-3-ylidene)amino] 3-methylsulfanyl-1-phenylpyrazole-4-carboxylate
SYSTEMATIC NAME: [[9-(phenylmethyl)-9-azabicyclo[3.3.1]nonan-3-ylidene]amino] 3-methylsulfanyl-1-phenyl-pyrazole-4-carboxylate
MOLECULAR FORMULA: C26H28N4O2S
MOLECULAR WEIGHT: 460.59112
SMILES: CSC1=NN(C=C1C(=O)ON=C2CC3CCCC(C2)N3CC4=CC=CC=C4)C5=CC=CC=C5
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Product OPENEYE NAME: [(9-benzyl-9-azabicyclo[3.3.1]nonan-3-ylidene)amino] 4-fluorobenzoate
CAS Name: 4-fluorobenzoic acid [[9-(phenylmethyl)-9-azabicyclo[3.3.1]nonan-3-ylidene]amino] ester
IUPAC NAME: [(9-benzyl-9-azabicyclo[3.3.1]nonan-3-ylidene)amino] 4-fluorobenzoate
SYSTEMATIC NAME: [[9-(phenylmethyl)-9-azabicyclo[3.3.1]nonan-3-ylidene]amino] 4-fluoranylbenzoate
MOLECULAR FORMULA: C22H23FN2O2
MOLECULAR WEIGHT: 366.428623
SMILES: C1CC2CC(=NOC(=O)C3=CC=C(C=C3)F)CC(C1)N2CC4=CC=CC=C4
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Product OPENEYE NAME: [[9-(2-thienylmethyl)-9-azabicyclo[3.3.1]nonan-3-ylidene]amino] 4-chlorobenzoate
CAS Name: 4-chlorobenzoic acid [[9-(thiophen-2-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-ylidene]amino] ester
IUPAC NAME: [[9-(thiophen-2-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-ylidene]amino] 4-chlorobenzoate
SYSTEMATIC NAME: [[9-(thiophen-2-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-ylidene]amino] 4-chloranylbenzoate
MOLECULAR FORMULA: C20H21ClN2O2S
MOLECULAR WEIGHT: 388.91094
SMILES: C1CC2CC(=NOC(=O)C3=CC=C(C=C3)Cl)CC(C1)N2CC4=CC=CS4
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Product OPENEYE NAME: [(9-benzyl-9-azabicyclo[3.3.1]nonan-3-ylidene)amino] benzoate
CAS Name: benzoic acid [[9-(phenylmethyl)-9-azabicyclo[3.3.1]nonan-3-ylidene]amino] ester
IUPAC NAME: [(9-benzyl-9-azabicyclo[3.3.1]nonan-3-ylidene)amino] benzoate
SYSTEMATIC NAME: [[9-(phenylmethyl)-9-azabicyclo[3.3.1]nonan-3-ylidene]amino] benzoate
MOLECULAR FORMULA: C22H24N2O2
MOLECULAR WEIGHT: 348.43816
SMILES: C1CC2CC(=NOC(=O)C3=CC=CC=C3)CC(C1)N2CC4=CC=CC=C4
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Product OPENEYE NAME: 3-methylsulfanyl-N,1-diphenyl-pyrazole-4-carboxamide
CAS Name: 3-(methylthio)-N,1-diphenyl-4-pyrazolecarboxamide
IUPAC NAME: 3-methylsulfanyl-N,1-diphenylpyrazole-4-carboxamide
SYSTEMATIC NAME: 3-methylsulfanyl-N,1-diphenyl-pyrazole-4-carboxamide
MOLECULAR FORMULA: C17H15N3OS
MOLECULAR WEIGHT: 309.3855
SMILES: CSC1=NN(C=C1C(=O)NC2=CC=CC=C2)C3=CC=CC=C3
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Product OPENEYE NAME: 3-methylsulfanyl-1-phenyl-N-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CAS Name: 3-(methylthio)-1-phenyl-N-[3-(trifluoromethyl)phenyl]-4-pyrazolecarboxamide
IUPAC NAME: 3-methylsulfanyl-1-phenyl-N-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
SYSTEMATIC NAME: 3-methylsulfanyl-1-phenyl-N-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
MOLECULAR FORMULA: C18H14F3N3OS
MOLECULAR WEIGHT: 377.38347
SMILES: CSC1=NN(C=C1C(=O)NC2=CC=CC(=C2)C(F)(F)F)C3=CC=CC=C3
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Product OPENEYE NAME: N-(4-methoxyphenyl)-3-methylsulfanyl-1-phenyl-pyrazole-4-carboxamide
CAS Name: N-(4-methoxyphenyl)-3-(methylthio)-1-phenyl-4-pyrazolecarboxamide
IUPAC NAME: N-(4-methoxyphenyl)-3-methylsulfanyl-1-phenylpyrazole-4-carboxamide
SYSTEMATIC NAME: N-(4-methoxyphenyl)-3-methylsulfanyl-1-phenyl-pyrazole-4-carboxamide
MOLECULAR FORMULA: C18H17N3O2S
MOLECULAR WEIGHT: 339.41148
SMILES: COC1=CC=C(C=C1)NC(=O)C2=CN(N=C2SC)C3=CC=CC=C3
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Product OPENEYE NAME: N-phenyl-4-[2-(trifluoromethyl)-4-quinolyl]piperazine-1-carboxamide
CAS Name: N-phenyl-4-[2-(trifluoromethyl)-4-quinolinyl]-1-piperazinecarboxamide
IUPAC NAME: N-phenyl-4-[2-(trifluoromethyl)quinolin-4-yl]piperazine-1-carboxamide
SYSTEMATIC NAME: N-phenyl-4-[2-(trifluoromethyl)quinolin-4-yl]piperazine-1-carboxamide
MOLECULAR FORMULA: C21H19F3N4O
MOLECULAR WEIGHT: 400.39697
SMILES: C1CN(CCN1C2=CC(=NC3=CC=CC=C32)C(F)(F)F)C(=O)NC4=CC=CC=C4
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