Tuesday, November 27, 2012

All Chemical Compounds Information




Product OPENEYE NAME: [[amino-(3-benzyl-1-methyl-2,4-dioxo-pyrimidin-5-yl)methylene]amino] 4-chlorobenzoate
CAS Name: 4-chlorobenzoic acid [[amino-[1-methyl-2,4-dioxo-3-(phenylmethyl)-5-pyrimidinyl]methylidene]amino] ester
IUPAC NAME: [[amino-(3-benzyl-1-methyl-2,4-dioxopyrimidin-5-yl)methylidene]amino] 4-chlorobenzoate
SYSTEMATIC NAME: [[azanyl-[1-methyl-2,4-bis(oxidanylidene)-3-(phenylmethyl)pyrimidin-5-yl]methylidene]amino] 4-chloranylbenzoate
MOLECULAR FORMULA: C20H17ClN4O4
MOLECULAR WEIGHT: 412.82638
SMILES: CN1C=C(C(=O)N(C1=O)CC2=CC=CC=C2)C(=NOC(=O)C3=CC=C(C=C3)Cl)N
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Product OPENEYE NAME: N'-hydroxy-3-methylsulfanyl-1-phenyl-pyrazole-4-carboxamidine
CAS Name: N'-hydroxy-3-(methylthio)-1-phenyl-4-pyrazolecarboximidamide
IUPAC NAME: N'-hydroxy-3-methylsulfanyl-1-phenylpyrazole-4-carboximidamide
SYSTEMATIC NAME: 3-methylsulfanyl-N'-oxidanyl-1-phenyl-pyrazole-4-carboximidamide
MOLECULAR FORMULA: C11H12N4OS
MOLECULAR WEIGHT: 248.30418
SMILES: CSC1=NN(C=C1C(=NO)N)C2=CC=CC=C2
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Product OPENEYE NAME: 1-[4-(trifluoromethoxy)phenyl]-3-[[2-[[2-(trifluoromethyl)-4-quinolyl]sulfanyl]acetyl]amino]urea
CAS Name: 1-[[1-oxo-2-[[2-(trifluoromethyl)-4-quinolinyl]thio]ethyl]amino]-3-[4-(trifluoromethoxy)phenyl]urea
IUPAC NAME: 1-[4-(trifluoromethoxy)phenyl]-3-[[2-[2-(trifluoromethyl)quinolin-4-yl]sulfanylacetyl]amino]urea
SYSTEMATIC NAME: 1-[4-(trifluoromethyloxy)phenyl]-3-[2-[2-(trifluoromethyl)quinolin-4-yl]sulfanylethanoylamino]urea
MOLECULAR FORMULA: C20H14F6N4O3S
MOLECULAR WEIGHT: 504.405579
SMILES: C1=CC=C2C(=C1)C(=CC(=N2)C(F)(F)F)SCC(=O)NNC(=O)NC3=CC=C(C=C3)OC(F)(F)F
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Product OPENEYE NAME: 3-methylsulfanyl-1-phenyl-pyrazole-4-carboxamide
CAS Name: 3-(methylthio)-1-phenyl-4-pyrazolecarboxamide
IUPAC NAME: 3-methylsulfanyl-1-phenylpyrazole-4-carboxamide
SYSTEMATIC NAME: 3-methylsulfanyl-1-phenyl-pyrazole-4-carboxamide
MOLECULAR FORMULA: C11H11N3OS
MOLECULAR WEIGHT: 233.28954
SMILES: CSC1=NN(C=C1C(=O)N)C2=CC=CC=C2
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Product OPENEYE NAME: 1-(4-chlorophenyl)sulfonyl-3-(1-methylsulfanylethyl)pyrazole
CAS Name: 1-(4-chlorophenyl)sulfonyl-3-[1-(methylthio)ethyl]pyrazole
IUPAC NAME: 1-(4-chlorophenyl)sulfonyl-3-(1-methylsulfanylethyl)pyrazole
SYSTEMATIC NAME: 1-(4-chlorophenyl)sulfonyl-3-(1-methylsulfanylethyl)pyrazole
MOLECULAR FORMULA: C12H13ClN2O2S2
MOLECULAR WEIGHT: 316.82682
SMILES: CC(C1=NN(C=C1)S(=O)(=O)C2=CC=C(C=C2)Cl)SC
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Product OPENEYE NAME: 3-benzyl-1-isopropyl-5-[5-(2-thienyl)-1,2,4-oxadiazol-3-yl]pyrimidine-2,4-dione
CAS Name: 3-(phenylmethyl)-1-propan-2-yl-5-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)pyrimidine-2,4-dione
IUPAC NAME: 3-benzyl-1-propan-2-yl-5-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)pyrimidine-2,4-dione
SYSTEMATIC NAME: 3-(phenylmethyl)-1-propan-2-yl-5-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)pyrimidine-2,4-dione
MOLECULAR FORMULA: C20H18N4O3S
MOLECULAR WEIGHT: 394.44692
SMILES: CC(C)N1C=C(C(=O)N(C1=O)CC2=CC=CC=C2)C3=NOC(=N3)C4=CC=CS4
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Product OPENEYE NAME: 3-benzyl-1-isopropyl-5-[5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]pyrimidine-2,4-dione
CAS Name: 3-(phenylmethyl)-1-propan-2-yl-5-[5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]pyrimidine-2,4-dione
IUPAC NAME: 3-benzyl-1-propan-2-yl-5-[5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]pyrimidine-2,4-dione
SYSTEMATIC NAME: 3-(phenylmethyl)-1-propan-2-yl-5-[5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]pyrimidine-2,4-dione
MOLECULAR FORMULA: C23H19F3N4O3
MOLECULAR WEIGHT: 456.41717
SMILES: CC(C)N1C=C(C(=O)N(C1=O)CC2=CC=CC=C2)C3=NOC(=N3)C4=CC=C(C=C4)C(F)(F)F
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Product OPENEYE NAME: [[amino-(3-methylsulfanyl-1-phenyl-pyrazol-4-yl)methylene]amino] N-phenylcarbamate
CAS Name: N-phenylcarbamic acid [[amino-[3-(methylthio)-1-phenyl-4-pyrazolyl]methylidene]amino] ester
IUPAC NAME: [[amino-(3-methylsulfanyl-1-phenylpyrazol-4-yl)methylidene]amino] N-phenylcarbamate
SYSTEMATIC NAME: [[azanyl-(3-methylsulfanyl-1-phenyl-pyrazol-4-yl)methylidene]amino] N-phenylcarbamate
MOLECULAR FORMULA: C18H17N5O2S
MOLECULAR WEIGHT: 367.42488
SMILES: CSC1=NN(C=C1C(=NOC(=O)NC2=CC=CC=C2)N)C3=CC=CC=C3
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Product OPENEYE NAME: methyl 5-[(4-chlorophenyl)sulfamoyl]-4-methoxy-thiophene-3-carboxylate
CAS Name: 5-[(4-chlorophenyl)sulfamoyl]-4-methoxy-3-thiophenecarboxylic acid methyl ester
IUPAC NAME: methyl 5-[(4-chlorophenyl)sulfamoyl]-4-methoxythiophene-3-carboxylate
SYSTEMATIC NAME: methyl 5-[(4-chlorophenyl)sulfamoyl]-4-methoxy-thiophene-3-carboxylate
MOLECULAR FORMULA: C13H12ClNO5S2
MOLECULAR WEIGHT: 361.82108
SMILES: COC1=C(SC=C1C(=O)OC)S(=O)(=O)NC2=CC=C(C=C2)Cl
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Product OPENEYE NAME: 3-benzyl-5-[4-(4-chlorophenyl)thiazol-2-yl]-1-isopropyl-pyrimidine-2,4-dione
CAS Name: 5-[4-(4-chlorophenyl)-2-thiazolyl]-3-(phenylmethyl)-1-propan-2-ylpyrimidine-2,4-dione
IUPAC NAME: 3-benzyl-5-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-propan-2-ylpyrimidine-2,4-dione
SYSTEMATIC NAME: 5-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(phenylmethyl)-1-propan-2-yl-pyrimidine-2,4-dione
MOLECULAR FORMULA: C23H20ClN3O2S
MOLECULAR WEIGHT: 437.9418
SMILES: CC(C)N1C=C(C(=O)N(C1=O)CC2=CC=CC=C2)C3=NC(=CS3)C4=CC=C(C=C4)Cl
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Product OPENEYE NAME: [[amino-(3-methylsulfanyl-1-phenyl-pyrazol-4-yl)methylene]amino] N-(4-chlorophenyl)carbamate
CAS Name: N-(4-chlorophenyl)carbamic acid [[amino-[3-(methylthio)-1-phenyl-4-pyrazolyl]methylidene]amino] ester
IUPAC NAME: [[amino-(3-methylsulfanyl-1-phenylpyrazol-4-yl)methylidene]amino] N-(4-chlorophenyl)carbamate
SYSTEMATIC NAME: [[azanyl-(3-methylsulfanyl-1-phenyl-pyrazol-4-yl)methylidene]amino] N-(4-chlorophenyl)carbamate
MOLECULAR FORMULA: C18H16ClN5O2S
MOLECULAR WEIGHT: 401.86994
SMILES: CSC1=NN(C=C1C(=NOC(=O)NC2=CC=C(C=C2)Cl)N)C3=CC=CC=C3
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Product OPENEYE NAME: [[amino-(3-methylsulfanyl-1-phenyl-pyrazol-4-yl)methylene]amino] N-(3-chlorophenyl)carbamate
CAS Name: N-(3-chlorophenyl)carbamic acid [[amino-[3-(methylthio)-1-phenyl-4-pyrazolyl]methylidene]amino] ester
IUPAC NAME: [[amino-(3-methylsulfanyl-1-phenylpyrazol-4-yl)methylidene]amino] N-(3-chlorophenyl)carbamate
SYSTEMATIC NAME: [[azanyl-(3-methylsulfanyl-1-phenyl-pyrazol-4-yl)methylidene]amino] N-(3-chlorophenyl)carbamate
MOLECULAR FORMULA: C18H16ClN5O2S
MOLECULAR WEIGHT: 401.86994
SMILES: CSC1=NN(C=C1C(=NOC(=O)NC2=CC(=CC=C2)Cl)N)C3=CC=CC=C3
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Product OPENEYE NAME: [[amino-(3-methylsulfanyl-1-phenyl-pyrazol-4-yl)methylene]amino] N-[4-(trifluoromethoxy)phenyl]carbamate
CAS Name: N-[4-(trifluoromethoxy)phenyl]carbamic acid [[amino-[3-(methylthio)-1-phenyl-4-pyrazolyl]methylidene]amino] ester
IUPAC NAME: [[amino-(3-methylsulfanyl-1-phenylpyrazol-4-yl)methylidene]amino] N-[4-(trifluoromethoxy)phenyl]carbamate
SYSTEMATIC NAME: [[azanyl-(3-methylsulfanyl-1-phenyl-pyrazol-4-yl)methylidene]amino] N-[4-(trifluoromethyloxy)phenyl]carbamate
MOLECULAR FORMULA: C19H16F3N5O3S
MOLECULAR WEIGHT: 451.42225
SMILES: CSC1=NN(C=C1C(=NOC(=O)NC2=CC=C(C=C2)OC(F)(F)F)N)C3=CC=CC=C3
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Product OPENEYE NAME: 5-(4-chlorophenyl)-3-(3-methylsulfanyl-1-phenyl-pyrazol-4-yl)-1,2,4-oxadiazole
CAS Name: 5-(4-chlorophenyl)-3-[3-(methylthio)-1-phenyl-4-pyrazolyl]-1,2,4-oxadiazole
IUPAC NAME: 5-(4-chlorophenyl)-3-(3-methylsulfanyl-1-phenylpyrazol-4-yl)-1,2,4-oxadiazole
SYSTEMATIC NAME: 5-(4-chlorophenyl)-3-(3-methylsulfanyl-1-phenyl-pyrazol-4-yl)-1,2,4-oxadiazole
MOLECULAR FORMULA: C18H13ClN4OS
MOLECULAR WEIGHT: 368.84002
SMILES: CSC1=NN(C=C1C2=NOC(=N2)C3=CC=C(C=C3)Cl)C4=CC=CC=C4
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Product OPENEYE NAME: 2-[6-(methylamino)-5-nitro-pyrimidin-4-yl]sulfanylethanol
CAS Name: 2-[[6-(methylamino)-5-nitro-4-pyrimidinyl]thio]ethanol
IUPAC NAME: 2-[6-(methylamino)-5-nitropyrimidin-4-yl]sulfanylethanol
SYSTEMATIC NAME: 2-[6-(methylamino)-5-nitro-pyrimidin-4-yl]sulfanylethanol
MOLECULAR FORMULA: C7H10N4O3S
MOLECULAR WEIGHT: 230.2443
SMILES: CNC1=C(C(=NC=N1)SCCO)[N+](=O)[O-]
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Product OPENEYE NAME: [[amino-(3-methylsulfanyl-1-phenyl-pyrazol-4-yl)methylene]amino] thiophene-2-carboxylate
CAS Name: 2-thiophenecarboxylic acid [[amino-[3-(methylthio)-1-phenyl-4-pyrazolyl]methylidene]amino] ester
IUPAC NAME: [[amino-(3-methylsulfanyl-1-phenylpyrazol-4-yl)methylidene]amino] thiophene-2-carboxylate
SYSTEMATIC NAME: [[azanyl-(3-methylsulfanyl-1-phenyl-pyrazol-4-yl)methylidene]amino] thiophene-2-carboxylate
MOLECULAR FORMULA: C16H14N4O2S2
MOLECULAR WEIGHT: 358.43796
SMILES: CSC1=NN(C=C1C(=NOC(=O)C2=CC=CS2)N)C3=CC=CC=C3
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Product OPENEYE NAME: 2-[[4-methyl-5-[[2-(trifluoromethyl)-4-quinolyl]sulfanylmethyl]-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone
CAS Name: 2-[[4-methyl-5-[[[2-(trifluoromethyl)-4-quinolinyl]thio]methyl]-1,2,4-triazol-3-yl]thio]-1-phenylethanone
IUPAC NAME: 2-[[4-methyl-5-[[2-(trifluoromethyl)quinolin-4-yl]sulfanylmethyl]-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone
SYSTEMATIC NAME: 2-[[4-methyl-5-[[2-(trifluoromethyl)quinolin-4-yl]sulfanylmethyl]-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone
MOLECULAR FORMULA: C22H17F3N4OS2
MOLECULAR WEIGHT: 474.52179
SMILES: CN1C(=NN=C1SCC(=O)C2=CC=CC=C2)CSC3=CC(=NC4=CC=CC=C43)C(F)(F)F
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Product OPENEYE NAME: 1-[[4-methyl-5-[[2-(trifluoromethyl)-4-quinolyl]sulfanylmethyl]-1,2,4-triazol-3-yl]sulfanyl]propan-2-one
CAS Name: 1-[[4-methyl-5-[[[2-(trifluoromethyl)-4-quinolinyl]thio]methyl]-1,2,4-triazol-3-yl]thio]-2-propanone
IUPAC NAME: 1-[[4-methyl-5-[[2-(trifluoromethyl)quinolin-4-yl]sulfanylmethyl]-1,2,4-triazol-3-yl]sulfanyl]propan-2-one
SYSTEMATIC NAME: 1-[[4-methyl-5-[[2-(trifluoromethyl)quinolin-4-yl]sulfanylmethyl]-1,2,4-triazol-3-yl]sulfanyl]propan-2-one
MOLECULAR FORMULA: C17H15F3N4OS2
MOLECULAR WEIGHT: 412.45241
SMILES: CC(=O)CSC1=NN=C(N1C)CSC2=CC(=NC3=CC=CC=C32)C(F)(F)F
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Product OPENEYE NAME: [[amino-(3-methylsulfanyl-1-phenyl-pyrazol-4-yl)methylene]amino] 2,4-dichlorobenzoate
CAS Name: 2,4-dichlorobenzoic acid [[amino-[3-(methylthio)-1-phenyl-4-pyrazolyl]methylidene]amino] ester
IUPAC NAME: [[amino-(3-methylsulfanyl-1-phenylpyrazol-4-yl)methylidene]amino] 2,4-dichlorobenzoate
SYSTEMATIC NAME: [[azanyl-(3-methylsulfanyl-1-phenyl-pyrazol-4-yl)methylidene]amino] 2,4-bis(chloranyl)benzoate
MOLECULAR FORMULA: C18H14Cl2N4O2S
MOLECULAR WEIGHT: 421.30036
SMILES: CSC1=NN(C=C1C(=NOC(=O)C2=C(C=C(C=C2)Cl)Cl)N)C3=CC=CC=C3
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Product OPENEYE NAME: [[amino-(3-methylsulfanyl-1-phenyl-pyrazol-4-yl)methylene]amino] 4-(trifluoromethyl)benzoate
CAS Name: 4-(trifluoromethyl)benzoic acid [[amino-[3-(methylthio)-1-phenyl-4-pyrazolyl]methylidene]amino] ester
IUPAC NAME: [[amino-(3-methylsulfanyl-1-phenylpyrazol-4-yl)methylidene]amino] 4-(trifluoromethyl)benzoate
SYSTEMATIC NAME: [[azanyl-(3-methylsulfanyl-1-phenyl-pyrazol-4-yl)methylidene]amino] 4-(trifluoromethyl)benzoate
MOLECULAR FORMULA: C19H15F3N4O2S
MOLECULAR WEIGHT: 420.40821
SMILES: CSC1=NN(C=C1C(=NOC(=O)C2=CC=C(C=C2)C(F)(F)F)N)C3=CC=CC=C3
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Product OPENEYE NAME: diethyl 2-[(2-chlorophenyl)hydrazono]propanedioate
CAS Name: 2-[(2-chlorophenyl)hydrazinylidene]propanedioic acid diethyl ester
IUPAC NAME: diethyl 2-[(2-chlorophenyl)hydrazinylidene]propanedioate
SYSTEMATIC NAME: diethyl 2-[(2-chlorophenyl)hydrazinylidene]propanedioate
MOLECULAR FORMULA: C13H15ClN2O4
MOLECULAR WEIGHT: 298.7222
SMILES: CCOC(=O)C(=NNC1=CC=CC=C1Cl)C(=O)OCC
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Product OPENEYE NAME: 2-[(2-methyl-1H-indol-3-yl)sulfanyl]acetohydrazide
CAS Name: 2-[(2-methyl-1H-indol-3-yl)thio]acetohydrazide
IUPAC NAME: 2-[(2-methyl-1H-indol-3-yl)sulfanyl]acetohydrazide
SYSTEMATIC NAME: 2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethanehydrazide
MOLECULAR FORMULA: C11H13N3OS
MOLECULAR WEIGHT: 235.30542
SMILES: CC1=C(C2=CC=CC=C2N1)SCC(=O)NN
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