Tuesday, November 27, 2012

All Chemical Compounds Information




Product OPENEYE NAME: methyl 3-(2,1,3-benzothiadiazol-4-ylsulfonylamino)thiophene-2-carboxylate
CAS Name: 3-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-2-thiophenecarboxylic acid methyl ester
IUPAC NAME: methyl 3-(2,1,3-benzothiadiazol-4-ylsulfonylamino)thiophene-2-carboxylate
SYSTEMATIC NAME: methyl 3-(2,1,3-benzothiadiazol-4-ylsulfonylamino)thiophene-2-carboxylate
MOLECULAR FORMULA: C12H9N3O4S3
MOLECULAR WEIGHT: 355.41256
SMILES: COC(=O)C1=C(C=CS1)NS(=O)(=O)C2=CC=CC3=NSN=C32
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Product OPENEYE NAME: ethyl 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-4,5-dimethyl-thiophene-3-carboxylate
CAS Name: 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester
IUPAC NAME: ethyl 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-4,5-dimethylthiophene-3-carboxylate
SYSTEMATIC NAME: ethyl 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-4,5-dimethyl-thiophene-3-carboxylate
MOLECULAR FORMULA: C15H15N3O4S3
MOLECULAR WEIGHT: 397.4923
SMILES: CCOC(=O)C1=C(SC(=C1C)C)NS(=O)(=O)C2=CC=CC3=NSN=C32
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Product OPENEYE NAME: 2-(2,1,3-benzoxadiazol-5-ylmethylsulfanyl)aniline
CAS Name: 2-(2,1,3-benzoxadiazol-5-ylmethylthio)aniline
IUPAC NAME: 2-(2,1,3-benzoxadiazol-5-ylmethylsulfanyl)aniline
SYSTEMATIC NAME: 2-(2,1,3-benzoxadiazol-5-ylmethylsulfanyl)aniline
MOLECULAR FORMULA: C13H11N3OS
MOLECULAR WEIGHT: 257.31094
SMILES: C1=CC=C(C(=C1)N)SCC2=CC3=NON=C3C=C2
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Product OPENEYE NAME: 5-bromo-N-phenyl-2,3-dihydrobenzofuran-7-carboxamide
CAS Name: 5-bromo-N-phenyl-2,3-dihydrobenzofuran-7-carboxamide
IUPAC NAME: 5-bromo-N-phenyl-2,3-dihydro-1-benzofuran-7-carboxamide
SYSTEMATIC NAME: 5-bromanyl-N-phenyl-2,3-dihydro-1-benzofuran-7-carboxamide
MOLECULAR FORMULA: C15H12BrNO2
MOLECULAR WEIGHT: 318.16528
SMILES: C1COC2=C1C=C(C=C2C(=O)NC3=CC=CC=C3)Br
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Product OPENEYE NAME: 5-bromo-N-[4-(trifluoromethyl)phenyl]-2,3-dihydrobenzofuran-7-carboxamide
CAS Name: 5-bromo-N-[4-(trifluoromethyl)phenyl]-2,3-dihydrobenzofuran-7-carboxamide
IUPAC NAME: 5-bromo-N-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran-7-carboxamide
SYSTEMATIC NAME: 5-bromanyl-N-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran-7-carboxamide
MOLECULAR FORMULA: C16H11BrF3NO2
MOLECULAR WEIGHT: 386.16325
SMILES: C1COC2=C1C=C(C=C2C(=O)NC3=CC=C(C=C3)C(F)(F)F)Br
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Product OPENEYE NAME: 2-(3-chlorophenyl)-N-(4-fluoroanilino)-2-oxo-acetimidoyl cyanide
CAS Name: 3-(3-chlorophenyl)-2-[(4-fluorophenyl)hydrazinylidene]-3-oxopropanenitrile
IUPAC NAME: 2-(3-chlorophenyl)-N-(4-fluoroanilino)-2-oxoethanimidoyl cyanide
SYSTEMATIC NAME: 3-(3-chlorophenyl)-2-[(4-fluorophenyl)hydrazinylidene]-3-oxidanylidene-propanenitrile
MOLECULAR FORMULA: C15H9ClFN3O
MOLECULAR WEIGHT: 301.702863
SMILES: C1=CC(=CC(=C1)Cl)C(=O)C(=NNC2=CC=C(C=C2)F)C#N
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Product OPENEYE NAME: 5-bromo-N-methyl-2,3-dihydrobenzofuran-7-carboxamide
CAS Name: 5-bromo-N-methyl-2,3-dihydrobenzofuran-7-carboxamide
IUPAC NAME: 5-bromo-N-methyl-2,3-dihydro-1-benzofuran-7-carboxamide
SYSTEMATIC NAME: 5-bromanyl-N-methyl-2,3-dihydro-1-benzofuran-7-carboxamide
MOLECULAR FORMULA: C10H10BrNO2
MOLECULAR WEIGHT: 256.0959
SMILES: CNC(=O)C1=CC(=CC2=C1OCC2)Br
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Product OPENEYE NAME: (5-bromo-2,3-dihydrobenzofuran-7-yl)-(1-piperidyl)methanone
CAS Name: (5-bromo-2,3-dihydrobenzofuran-7-yl)-(1-piperidinyl)methanone
IUPAC NAME: (5-bromo-2,3-dihydro-1-benzofuran-7-yl)-piperidin-1-ylmethanone
SYSTEMATIC NAME: (5-bromanyl-2,3-dihydro-1-benzofuran-7-yl)-piperidin-1-yl-methanone
MOLECULAR FORMULA: C14H16BrNO2
MOLECULAR WEIGHT: 310.18634
SMILES: C1CCN(CC1)C(=O)C2=CC(=CC3=C2OCC3)Br
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Product OPENEYE NAME: 5-bromo-N,N-dimethyl-2,3-dihydrobenzofuran-7-carboxamide
CAS Name: 5-bromo-N,N-dimethyl-2,3-dihydrobenzofuran-7-carboxamide
IUPAC NAME: 5-bromo-N,N-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide
SYSTEMATIC NAME: 5-bromanyl-N,N-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide
MOLECULAR FORMULA: C11H12BrNO2
MOLECULAR WEIGHT: 270.12248
SMILES: CN(C)C(=O)C1=CC(=CC2=C1OCC2)Br
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Product OPENEYE NAME: (5-bromo-2,3-dihydrobenzofuran-7-yl)-morpholino-methanone
CAS Name: (5-bromo-2,3-dihydrobenzofuran-7-yl)-(4-morpholinyl)methanone
IUPAC NAME: (5-bromo-2,3-dihydro-1-benzofuran-7-yl)-morpholin-4-ylmethanone
SYSTEMATIC NAME: (5-bromanyl-2,3-dihydro-1-benzofuran-7-yl)-morpholin-4-yl-methanone
MOLECULAR FORMULA: C13H14BrNO3
MOLECULAR WEIGHT: 312.15916
SMILES: C1COC2=C1C=C(C=C2C(=O)N3CCOCC3)Br
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Product OPENEYE NAME: 5-bromo-2,3-dihydrobenzofuran-7-carboxamide
CAS Name: 5-bromo-2,3-dihydrobenzofuran-7-carboxamide
IUPAC NAME: 5-bromo-2,3-dihydro-1-benzofuran-7-carboxamide
SYSTEMATIC NAME: 5-bromanyl-2,3-dihydro-1-benzofuran-7-carboxamide
MOLECULAR FORMULA: C9H8BrNO2
MOLECULAR WEIGHT: 242.06932
SMILES: C1COC2=C1C=C(C=C2C(=O)N)Br
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Product OPENEYE NAME: 2-(3-methoxy-2-oxo-1-pyridyl)acetohydrazide
CAS Name: 2-(3-methoxy-2-oxo-1-pyridinyl)acetohydrazide
IUPAC NAME: 2-(3-methoxy-2-oxopyridin-1-yl)acetohydrazide
SYSTEMATIC NAME: 2-(3-methoxy-2-oxidanylidene-pyridin-1-yl)ethanehydrazide
MOLECULAR FORMULA: C8H11N3O3
MOLECULAR WEIGHT: 197.19124
SMILES: COC1=CC=CN(C1=O)CC(=O)NN
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Product OPENEYE NAME: N-[2-(2,1,3-benzoxadiazol-5-ylmethylsulfanyl)phenyl]-2,4-dichloro-benzenesulfonamide
CAS Name: N-[2-(2,1,3-benzoxadiazol-5-ylmethylthio)phenyl]-2,4-dichlorobenzenesulfonamide
IUPAC NAME: N-[2-(2,1,3-benzoxadiazol-5-ylmethylsulfanyl)phenyl]-2,4-dichlorobenzenesulfonamide
SYSTEMATIC NAME: N-[2-(2,1,3-benzoxadiazol-5-ylmethylsulfanyl)phenyl]-2,4-bis(chloranyl)benzenesulfonamide
MOLECULAR FORMULA: C19H13Cl2N3O3S2
MOLECULAR WEIGHT: 466.36082
SMILES: C1=CC=C(C(=C1)NS(=O)(=O)C2=C(C=C(C=C2)Cl)Cl)SCC3=CC4=NON=C4C=C3
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Product OPENEYE NAME: N'-(benzenesulfonyl)-2-(3-methoxy-2-oxo-1-pyridyl)acetohydrazide
CAS Name: N'-(benzenesulfonyl)-2-(3-methoxy-2-oxo-1-pyridinyl)acetohydrazide
IUPAC NAME: N'-(benzenesulfonyl)-2-(3-methoxy-2-oxopyridin-1-yl)acetohydrazide
SYSTEMATIC NAME: 2-(3-methoxy-2-oxidanylidene-pyridin-1-yl)-N'-(phenylsulfonyl)ethanehydrazide
MOLECULAR FORMULA: C14H15N3O5S
MOLECULAR WEIGHT: 337.351
SMILES: COC1=CC=CN(C1=O)CC(=O)NNS(=O)(=O)C2=CC=CC=C2
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Product OPENEYE NAME: 2-(3-methoxy-2-oxo-1-pyridyl)-N'-(p-tolylsulfonyl)acetohydrazide
CAS Name: 2-(3-methoxy-2-oxo-1-pyridinyl)-N'-(4-methylphenyl)sulfonylacetohydrazide
IUPAC NAME: 2-(3-methoxy-2-oxopyridin-1-yl)-N'-(4-methylphenyl)sulfonylacetohydrazide
SYSTEMATIC NAME: 2-(3-methoxy-2-oxidanylidene-pyridin-1-yl)-N'-(4-methylphenyl)sulfonyl-ethanehydrazide
MOLECULAR FORMULA: C15H17N3O5S
MOLECULAR WEIGHT: 351.37758
SMILES: CC1=CC=C(C=C1)S(=O)(=O)NNC(=O)CN2C=CC=C(C2=O)OC
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Product OPENEYE NAME: 2-(4-chlorobenzoyl)-3-[4-(4-chlorobenzoyl)-1-methyl-pyrrol-2-yl]prop-2-enenitrile
CAS Name: 2-[(4-chlorophenyl)-oxomethyl]-3-[4-[(4-chlorophenyl)-oxomethyl]-1-methyl-2-pyrrolyl]-2-propenenitrile
IUPAC NAME: 2-(4-chlorobenzoyl)-3-[4-(4-chlorobenzoyl)-1-methylpyrrol-2-yl]prop-2-enenitrile
SYSTEMATIC NAME: 2-(4-chlorophenyl)carbonyl-3-[4-(4-chlorophenyl)carbonyl-1-methyl-pyrrol-2-yl]prop-2-enenitrile
MOLECULAR FORMULA: C22H14Cl2N2O2
MOLECULAR WEIGHT: 409.26476
SMILES: CN1C=C(C=C1C=C(C#N)C(=O)C2=CC=C(C=C2)Cl)C(=O)C3=CC=C(C=C3)Cl
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Product OPENEYE NAME: 2-[(4-chlorophenyl)methylsulfanyl]-5,7-dihydro-1H-thieno[3,4-d]pyrimidin-4-one
CAS Name: 2-[(4-chlorophenyl)methylthio]-5,7-dihydro-1H-thieno[3,4-d]pyrimidin-4-one
IUPAC NAME: 2-[(4-chlorophenyl)methylsulfanyl]-5,7-dihydro-1H-thieno[3,4-d]pyrimidin-4-one
SYSTEMATIC NAME: 2-[(4-chlorophenyl)methylsulfanyl]-5,7-dihydro-1H-thieno[3,4-d]pyrimidin-4-one
MOLECULAR FORMULA: C13H11ClN2OS2
MOLECULAR WEIGHT: 310.82224
SMILES: C1C2=C(CS1)NC(=NC2=O)SCC3=CC=C(C=C3)Cl
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Product OPENEYE NAME: 3-methoxy-1-[(4-methyl-5-thioxo-1H-1,2,4-triazol-3-yl)methyl]pyridin-2-one
CAS Name: 3-methoxy-1-[(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-2-pyridinone
IUPAC NAME: 3-methoxy-1-[(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]pyridin-2-one
SYSTEMATIC NAME: 3-methoxy-1-[(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]pyridin-2-one
MOLECULAR FORMULA: C10H12N4O2S
MOLECULAR WEIGHT: 252.29288
SMILES: CN1C(=NNC1=S)CN2C=CC=C(C2=O)OC
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Product OPENEYE NAME: N-(benzylideneamino)-2-[3-[(4-methylthiazol-2-yl)methyl]-4-oxo-phthalazin-1-yl]acetamide
CAS Name: 2-[3-[(4-methyl-2-thiazolyl)methyl]-4-oxo-1-phthalazinyl]-N-[(phenylmethylene)amino]acetamide
IUPAC NAME: N-(benzylideneamino)-2-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-oxophthalazin-1-yl]acetamide
SYSTEMATIC NAME: 2-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-oxidanylidene-phthalazin-1-yl]-N-[(phenylmethylidene)amino]ethanamide
MOLECULAR FORMULA: C22H19N5O2S
MOLECULAR WEIGHT: 417.48356
SMILES: CC1=CSC(=N1)CN2C(=O)C3=CC=CC=C3C(=N2)CC(=O)NN=CC4=CC=CC=C4
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Product OPENEYE NAME: 3-[4-(4-chlorobenzoyl)-1-methyl-pyrrol-2-yl]-2-(4-methylbenzoyl)prop-2-enenitrile
CAS Name: 3-[4-[(4-chlorophenyl)-oxomethyl]-1-methyl-2-pyrrolyl]-2-[(4-methylphenyl)-oxomethyl]-2-propenenitrile
IUPAC NAME: 3-[4-(4-chlorobenzoyl)-1-methylpyrrol-2-yl]-2-(4-methylbenzoyl)prop-2-enenitrile
SYSTEMATIC NAME: 3-[4-(4-chlorophenyl)carbonyl-1-methyl-pyrrol-2-yl]-2-(4-methylphenyl)carbonyl-prop-2-enenitrile
MOLECULAR FORMULA: C23H17ClN2O2
MOLECULAR WEIGHT: 388.84628
SMILES: CC1=CC=C(C=C1)C(=O)C(=CC2=CC(=CN2C)C(=O)C3=CC=C(C=C3)Cl)C#N
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Product OPENEYE NAME: 3-[4-(4-chlorobenzoyl)-1-methyl-pyrrol-2-yl]-2-(furan-2-carbonyl)prop-2-enenitrile
CAS Name: 3-[4-[(4-chlorophenyl)-oxomethyl]-1-methyl-2-pyrrolyl]-2-[2-furanyl(oxo)methyl]-2-propenenitrile
IUPAC NAME: 3-[4-(4-chlorobenzoyl)-1-methylpyrrol-2-yl]-2-(furan-2-carbonyl)prop-2-enenitrile
SYSTEMATIC NAME: 3-[4-(4-chlorophenyl)carbonyl-1-methyl-pyrrol-2-yl]-2-(furan-2-ylcarbonyl)prop-2-enenitrile
MOLECULAR FORMULA: C20H13ClN2O3
MOLECULAR WEIGHT: 364.78182
SMILES: CN1C=C(C=C1C=C(C#N)C(=O)C2=CC=CO2)C(=O)C3=CC=C(C=C3)Cl
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