Wednesday, November 28, 2012

All Chemical Compounds Information




Product OPENEYE NAME: N'-(1,1-dioxo-2,3-dihydrobenzothiophen-3-yl)-4-methyl-benzenesulfonohydrazide
CAS Name: N'-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-4-methylbenzenesulfonohydrazide
IUPAC NAME: N'-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-4-methylbenzenesulfonohydrazide
SYSTEMATIC NAME: N'-[1,1-bis(oxidanylidene)-2,3-dihydro-1-benzothiophen-3-yl]-4-methyl-benzenesulfonohydrazide
MOLECULAR FORMULA: C15H16N2O4S2
MOLECULAR WEIGHT: 352.42854
SMILES: CC1=CC=C(C=C1)S(=O)(=O)NNC2CS(=O)(=O)C3=CC=CC=C23
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Product OPENEYE NAME: 6-nitro-3-(2-thienylsulfanyl)-2,3-dihydrobenzothiophene 1,1-dioxide
CAS Name: 6-nitro-3-(thiophen-2-ylthio)-2,3-dihydro-1-benzothiophene 1,1-dioxide
IUPAC NAME: 6-nitro-3-thiophen-2-ylsulfanyl-2,3-dihydro-1-benzothiophene 1,1-dioxide
SYSTEMATIC NAME: 6-nitro-3-thiophen-2-ylsulfanyl-2,3-dihydro-1-benzothiophene 1,1-dioxide
MOLECULAR FORMULA: C12H9NO4S3
MOLECULAR WEIGHT: 327.39916
SMILES: C1C(C2=C(S1(=O)=O)C=C(C=C2)[N+](=O)[O-])SC3=CC=CS3
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Product OPENEYE NAME: N-phenyl-1-[5-(trifluoromethyl)-2-pyridyl]piperidine-4-carboxamide
CAS Name: N-phenyl-1-[5-(trifluoromethyl)-2-pyridinyl]-4-piperidinecarboxamide
IUPAC NAME: N-phenyl-1-[5-(trifluoromethyl)pyridin-2-yl]piperidine-4-carboxamide
SYSTEMATIC NAME: N-phenyl-1-[5-(trifluoromethyl)pyridin-2-yl]piperidine-4-carboxamide
MOLECULAR FORMULA: C18H18F3N3O
MOLECULAR WEIGHT: 349.35023
SMILES: C1CN(CCC1C(=O)NC2=CC=CC=C2)C3=NC=C(C=C3)C(F)(F)F
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Product OPENEYE NAME: N-(4-methoxyphenyl)-1-[5-(trifluoromethyl)-2-pyridyl]piperidine-4-carboxamide
CAS Name: N-(4-methoxyphenyl)-1-[5-(trifluoromethyl)-2-pyridinyl]-4-piperidinecarboxamide
IUPAC NAME: N-(4-methoxyphenyl)-1-[5-(trifluoromethyl)pyridin-2-yl]piperidine-4-carboxamide
SYSTEMATIC NAME: N-(4-methoxyphenyl)-1-[5-(trifluoromethyl)pyridin-2-yl]piperidine-4-carboxamide
MOLECULAR FORMULA: C19H20F3N3O2
MOLECULAR WEIGHT: 379.37621
SMILES: COC1=CC=C(C=C1)NC(=O)C2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F
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Product OPENEYE NAME: [4-[2-(benzylideneamino)ethyl]piperazin-1-yl]-(4-nitrophenyl)methanone
CAS Name: (4-nitrophenyl)-[4-[2-[(phenylmethylene)amino]ethyl]-1-piperazinyl]methanone
IUPAC NAME: [4-[2-(benzylideneamino)ethyl]piperazin-1-yl]-(4-nitrophenyl)methanone
SYSTEMATIC NAME: (4-nitrophenyl)-[4-[2-[(phenylmethylidene)amino]ethyl]piperazin-1-yl]methanone
MOLECULAR FORMULA: C20H22N4O3
MOLECULAR WEIGHT: 366.41368
SMILES: C1CN(CCN1CCN=CC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]
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Product OPENEYE NAME: 5-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-3-methyl-1-phenyl-pyrimidine-2,4-dione
CAS Name: 5-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-3-methyl-1-phenylpyrimidine-2,4-dione
IUPAC NAME: 5-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-3-methyl-1-phenylpyrimidine-2,4-dione
SYSTEMATIC NAME: 5-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-3-methyl-1-phenyl-pyrimidine-2,4-dione
MOLECULAR FORMULA: C19H13ClN4O3
MOLECULAR WEIGHT: 380.78452
SMILES: CN1C(=O)C(=CN(C1=O)C2=CC=CC=C2)C3=NOC(=N3)C4=CC=C(C=C4)Cl
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Product OPENEYE NAME: 5-chloro-3-methyl-N-[methyl-oxo-(p-tolyl)-$l^{6}-sulfanylidene]benzothiophene-2-sulfonamide
CAS Name: 5-chloro-3-methyl-N-[methyl-(4-methylphenyl)-oxo-$l^{6}-sulfanylidene]-1-benzothiophene-2-sulfonamide
IUPAC NAME: 5-chloro-3-methyl-N-[methyl-(4-methylphenyl)-oxo-$l^{6}-sulfanylidene]-1-benzothiophene-2-sulfonamide
SYSTEMATIC NAME: 5-chloranyl-3-methyl-N-[methyl-(4-methylphenyl)-oxidanylidene-$l^{6}-sulfanylidene]-1-benzothiophene-2-sulfonamide
MOLECULAR FORMULA: C17H16ClNO3S3
MOLECULAR WEIGHT: 413.96184
SMILES: CC1=CC=C(C=C1)S(=NS(=O)(=O)C2=C(C3=C(S2)C=CC(=C3)Cl)C)(=O)C
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Product OPENEYE NAME: 3-benzylsulfanyl-6-nitro-2,3-dihydrobenzothiophene 1,1-dioxide
CAS Name: 6-nitro-3-(phenylmethylthio)-2,3-dihydro-1-benzothiophene 1,1-dioxide
IUPAC NAME: 3-benzylsulfanyl-6-nitro-2,3-dihydro-1-benzothiophene 1,1-dioxide
SYSTEMATIC NAME: 6-nitro-3-(phenylmethylsulfanyl)-2,3-dihydro-1-benzothiophene 1,1-dioxide
MOLECULAR FORMULA: C15H13NO4S2
MOLECULAR WEIGHT: 335.39802
SMILES: C1C(C2=C(S1(=O)=O)C=C(C=C2)[N+](=O)[O-])SCC3=CC=CC=C3
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Product OPENEYE NAME: 2-benzoyl-3-[5-(2-phenylethynyl)-2-thienyl]prop-2-enenitrile
CAS Name: 2-benzoyl-3-[5-(2-phenylethynyl)-2-thiophenyl]-2-propenenitrile
IUPAC NAME: 2-benzoyl-3-[5-(2-phenylethynyl)thiophen-2-yl]prop-2-enenitrile
SYSTEMATIC NAME: 2-(phenylcarbonyl)-3-[5-(2-phenylethynyl)thiophen-2-yl]prop-2-enenitrile
MOLECULAR FORMULA: C22H13NOS
MOLECULAR WEIGHT: 339.40972
SMILES: C1=CC=C(C=C1)C#CC2=CC=C(S2)C=C(C#N)C(=O)C3=CC=CC=C3
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Product OPENEYE NAME: [[amino-(3-methyl-2,4-dioxo-1-phenyl-pyrimidin-5-yl)methylene]amino] benzoate
CAS Name: benzoic acid [[amino-(3-methyl-2,4-dioxo-1-phenyl-5-pyrimidinyl)methylidene]amino] ester
IUPAC NAME: [[amino-(3-methyl-2,4-dioxo-1-phenylpyrimidin-5-yl)methylidene]amino] benzoate
SYSTEMATIC NAME: [[azanyl-[3-methyl-2,4-bis(oxidanylidene)-1-phenyl-pyrimidin-5-yl]methylidene]amino] benzoate
MOLECULAR FORMULA: C19H16N4O4
MOLECULAR WEIGHT: 364.35474
SMILES: CN1C(=O)C(=CN(C1=O)C2=CC=CC=C2)C(=NOC(=O)C3=CC=CC=C3)N
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Product OPENEYE NAME: phenyl 1-[5-(trifluoromethyl)-2-pyridyl]piperidine-4-carboxylate
CAS Name: 1-[5-(trifluoromethyl)-2-pyridinyl]-4-piperidinecarboxylic acid phenyl ester
IUPAC NAME: phenyl 1-[5-(trifluoromethyl)pyridin-2-yl]piperidine-4-carboxylate
SYSTEMATIC NAME: phenyl 1-[5-(trifluoromethyl)pyridin-2-yl]piperidine-4-carboxylate
MOLECULAR FORMULA: C18H17F3N2O2
MOLECULAR WEIGHT: 350.33499
SMILES: C1CN(CCC1C(=O)OC2=CC=CC=C2)C3=NC=C(C=C3)C(F)(F)F
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Product OPENEYE NAME: [[amino-(3-methyl-2,4-dioxo-1-phenyl-pyrimidin-5-yl)methylene]amino] 2-chlorobenzoate
CAS Name: 2-chlorobenzoic acid [[amino-(3-methyl-2,4-dioxo-1-phenyl-5-pyrimidinyl)methylidene]amino] ester
IUPAC NAME: [[amino-(3-methyl-2,4-dioxo-1-phenylpyrimidin-5-yl)methylidene]amino] 2-chlorobenzoate
SYSTEMATIC NAME: [[azanyl-[3-methyl-2,4-bis(oxidanylidene)-1-phenyl-pyrimidin-5-yl]methylidene]amino] 2-chloranylbenzoate
MOLECULAR FORMULA: C19H15ClN4O4
MOLECULAR WEIGHT: 398.7998
SMILES: CN1C(=O)C(=CN(C1=O)C2=CC=CC=C2)C(=NOC(=O)C3=CC=CC=C3Cl)N
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Product OPENEYE NAME: [[amino-(3-methyl-2,4-dioxo-1-phenyl-pyrimidin-5-yl)methylene]amino] thiophene-2-carboxylate
CAS Name: 2-thiophenecarboxylic acid [[amino-(3-methyl-2,4-dioxo-1-phenyl-5-pyrimidinyl)methylidene]amino] ester
IUPAC NAME: [[amino-(3-methyl-2,4-dioxo-1-phenylpyrimidin-5-yl)methylidene]amino] thiophene-2-carboxylate
SYSTEMATIC NAME: [[azanyl-[3-methyl-2,4-bis(oxidanylidene)-1-phenyl-pyrimidin-5-yl]methylidene]amino] thiophene-2-carboxylate
MOLECULAR FORMULA: C17H14N4O4S
MOLECULAR WEIGHT: 370.38246
SMILES: CN1C(=O)C(=CN(C1=O)C2=CC=CC=C2)C(=NOC(=O)C3=CC=CS3)N
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Product OPENEYE NAME: (4-methoxyphenyl) 1-[5-(trifluoromethyl)-2-pyridyl]piperidine-4-carboxylate
CAS Name: 1-[5-(trifluoromethyl)-2-pyridinyl]-4-piperidinecarboxylic acid (4-methoxyphenyl) ester
IUPAC NAME: (4-methoxyphenyl) 1-[5-(trifluoromethyl)pyridin-2-yl]piperidine-4-carboxylate
SYSTEMATIC NAME: (4-methoxyphenyl) 1-[5-(trifluoromethyl)pyridin-2-yl]piperidine-4-carboxylate
MOLECULAR FORMULA: C19H19F3N2O3
MOLECULAR WEIGHT: 380.36097
SMILES: COC1=CC=C(C=C1)OC(=O)C2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F
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Product OPENEYE NAME: (4-fluorophenyl) 1-[5-(trifluoromethyl)-2-pyridyl]piperidine-4-carboxylate
CAS Name: 1-[5-(trifluoromethyl)-2-pyridinyl]-4-piperidinecarboxylic acid (4-fluorophenyl) ester
IUPAC NAME: (4-fluorophenyl) 1-[5-(trifluoromethyl)pyridin-2-yl]piperidine-4-carboxylate
SYSTEMATIC NAME: (4-fluorophenyl) 1-[5-(trifluoromethyl)pyridin-2-yl]piperidine-4-carboxylate
MOLECULAR FORMULA: C18H16F4N2O2
MOLECULAR WEIGHT: 368.325453
SMILES: C1CN(CCC1C(=O)OC2=CC=C(C=C2)F)C3=NC=C(C=C3)C(F)(F)F
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Product OPENEYE NAME: 5-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]-3-methyl-1-phenyl-pyrimidine-2,4-dione
CAS Name: 5-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]-3-methyl-1-phenylpyrimidine-2,4-dione
IUPAC NAME: 5-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]-3-methyl-1-phenylpyrimidine-2,4-dione
SYSTEMATIC NAME: 5-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]-3-methyl-1-phenyl-pyrimidine-2,4-dione
MOLECULAR FORMULA: C19H13ClN4O3
MOLECULAR WEIGHT: 380.78452
SMILES: CN1C(=O)C(=CN(C1=O)C2=CC=CC=C2)C3=NOC(=N3)C4=CC=CC=C4Cl
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Product OPENEYE NAME: 3-methyl-1-phenyl-5-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrimidine-2,4-dione
CAS Name: 3-methyl-1-phenyl-5-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrimidine-2,4-dione
IUPAC NAME: 3-methyl-1-phenyl-5-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrimidine-2,4-dione
SYSTEMATIC NAME: 3-methyl-1-phenyl-5-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrimidine-2,4-dione
MOLECULAR FORMULA: C19H14N4O3
MOLECULAR WEIGHT: 346.33946
SMILES: CN1C(=O)C(=CN(C1=O)C2=CC=CC=C2)C3=NOC(=N3)C4=CC=CC=C4
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Product OPENEYE NAME: 3-methyl-1-phenyl-5-[5-(2-thienyl)-1,2,4-oxadiazol-3-yl]pyrimidine-2,4-dione
CAS Name: 3-methyl-1-phenyl-5-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)pyrimidine-2,4-dione
IUPAC NAME: 3-methyl-1-phenyl-5-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)pyrimidine-2,4-dione
SYSTEMATIC NAME: 3-methyl-1-phenyl-5-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)pyrimidine-2,4-dione
MOLECULAR FORMULA: C17H12N4O3S
MOLECULAR WEIGHT: 352.36718
SMILES: CN1C(=O)C(=CN(C1=O)C2=CC=CC=C2)C3=NOC(=N3)C4=CC=CS4
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Product OPENEYE NAME: 3-pyrrolidin-1-yl-2,3-dihydrobenzothiophene 1,1-dioxide
CAS Name: 3-(1-pyrrolidinyl)-2,3-dihydro-1-benzothiophene 1,1-dioxide
IUPAC NAME: 3-pyrrolidin-1-yl-2,3-dihydro-1-benzothiophene 1,1-dioxide
SYSTEMATIC NAME: 3-pyrrolidin-1-yl-2,3-dihydro-1-benzothiophene 1,1-dioxide
MOLECULAR FORMULA: C12H15NO2S
MOLECULAR WEIGHT: 237.318
SMILES: C1CCN(C1)C2CS(=O)(=O)C3=CC=CC=C23
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Product OPENEYE NAME: 2-(4-methoxybenzoyl)-3-[5-(2-phenylethynyl)-2-thienyl]prop-2-enenitrile
CAS Name: 2-[(4-methoxyphenyl)-oxomethyl]-3-[5-(2-phenylethynyl)-2-thiophenyl]-2-propenenitrile
IUPAC NAME: 2-(4-methoxybenzoyl)-3-[5-(2-phenylethynyl)thiophen-2-yl]prop-2-enenitrile
SYSTEMATIC NAME: 2-(4-methoxyphenyl)carbonyl-3-[5-(2-phenylethynyl)thiophen-2-yl]prop-2-enenitrile
MOLECULAR FORMULA: C23H15NO2S
MOLECULAR WEIGHT: 369.4357
SMILES: COC1=CC=C(C=C1)C(=O)C(=CC2=CC=C(S2)C#CC3=CC=CC=C3)C#N
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