Thursday, January 31, 2013

All Chemical Compounds Information




Product OPENEYE NAME: methyl 2-(1-methyl-5-phenyl-imidazol-2-yl)sulfanylacetate
CAS Name: 2-[(1-methyl-5-phenyl-2-imidazolyl)thio]acetic acid methyl ester
IUPAC NAME: methyl 2-(1-methyl-5-phenylimidazol-2-yl)sulfanylacetate
SYSTEMATIC NAME: methyl 2-(1-methyl-5-phenyl-imidazol-2-yl)sulfanylethanoate
MOLECULAR FORMULA: C13H14N2O2S
MOLECULAR WEIGHT: 262.32746
SMILES: CN1C(=CN=C1SCC(=O)OC)C2=CC=CC=C2
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Product OPENEYE NAME: 3-(1-methyl-5-phenyl-imidazol-2-yl)sulfanylpropan-1-ol
CAS Name: 3-[(1-methyl-5-phenyl-2-imidazolyl)thio]-1-propanol
IUPAC NAME: 3-(1-methyl-5-phenylimidazol-2-yl)sulfanylpropan-1-ol
SYSTEMATIC NAME: 3-(1-methyl-5-phenyl-imidazol-2-yl)sulfanylpropan-1-ol
MOLECULAR FORMULA: C13H16N2OS
MOLECULAR WEIGHT: 248.34394
SMILES: CN1C(=CN=C1SCCCO)C2=CC=CC=C2
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Product OPENEYE NAME: 1-fluoro-2-[(4-methylsulfonylphenoxy)methyl]benzene
CAS Name: 1-fluoro-2-[(4-methylsulfonylphenoxy)methyl]benzene
IUPAC NAME: 1-fluoro-2-[(4-methylsulfonylphenoxy)methyl]benzene
SYSTEMATIC NAME: 1-fluoranyl-2-[(4-methylsulfonylphenoxy)methyl]benzene
MOLECULAR FORMULA: C14H13FO3S
MOLECULAR WEIGHT: 280.314623
SMILES: CS(=O)(=O)C1=CC=C(C=C1)OCC2=CC=CC=C2F
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Product OPENEYE NAME: 1-benzyloxy-4-methylsulfonyl-benzene
CAS Name: 1-methylsulfonyl-4-phenylmethoxybenzene
IUPAC NAME: 1-methylsulfonyl-4-phenylmethoxybenzene
SYSTEMATIC NAME: 1-methylsulfonyl-4-phenylmethoxy-benzene
MOLECULAR FORMULA: C14H14O3S
MOLECULAR WEIGHT: 262.32416
SMILES: CS(=O)(=O)C1=CC=C(C=C1)OCC2=CC=CC=C2
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Product OPENEYE NAME: 1-fluoro-2-[2-(4-methylsulfonylphenoxy)ethoxy]benzene
CAS Name: 1-fluoro-2-[2-(4-methylsulfonylphenoxy)ethoxy]benzene
IUPAC NAME: 1-fluoro-2-[2-(4-methylsulfonylphenoxy)ethoxy]benzene
SYSTEMATIC NAME: 1-fluoranyl-2-[2-(4-methylsulfonylphenoxy)ethoxy]benzene
MOLECULAR FORMULA: C15H15FO4S
MOLECULAR WEIGHT: 310.340603
SMILES: CS(=O)(=O)C1=CC=C(C=C1)OCCOC2=CC=CC=C2F
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Product OPENEYE NAME: 2-[(4-methylsulfonylphenoxy)methyl]-1,3-benzothiazole
CAS Name: 2-[(4-methylsulfonylphenoxy)methyl]-1,3-benzothiazole
IUPAC NAME: 2-[(4-methylsulfonylphenoxy)methyl]-1,3-benzothiazole
SYSTEMATIC NAME: 2-[(4-methylsulfonylphenoxy)methyl]-1,3-benzothiazole
MOLECULAR FORMULA: C15H13NO3S2
MOLECULAR WEIGHT: 319.39862
SMILES: CS(=O)(=O)C1=CC=C(C=C1)OCC2=NC3=CC=CC=C3S2
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Product OPENEYE NAME: 1-methylsulfonyl-4-(2-phenoxyethoxy)benzene
CAS Name: 1-methylsulfonyl-4-(2-phenoxyethoxy)benzene
IUPAC NAME: 1-methylsulfonyl-4-(2-phenoxyethoxy)benzene
SYSTEMATIC NAME: 1-methylsulfonyl-4-(2-phenoxyethoxy)benzene
MOLECULAR FORMULA: C15H16O4S
MOLECULAR WEIGHT: 292.35014
SMILES: CS(=O)(=O)C1=CC=C(C=C1)OCCOC2=CC=CC=C2
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Product OPENEYE NAME: 1-fluoro-4-[2-(4-methylsulfonylphenoxy)ethoxy]benzene
CAS Name: 1-fluoro-4-[2-(4-methylsulfonylphenoxy)ethoxy]benzene
IUPAC NAME: 1-fluoro-4-[2-(4-methylsulfonylphenoxy)ethoxy]benzene
SYSTEMATIC NAME: 1-fluoranyl-4-[2-(4-methylsulfonylphenoxy)ethoxy]benzene
MOLECULAR FORMULA: C15H15FO4S
MOLECULAR WEIGHT: 310.340603
SMILES: CS(=O)(=O)C1=CC=C(C=C1)OCCOC2=CC=C(C=C2)F
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Product OPENEYE NAME: 1-fluoro-3-[(4-methylsulfonylphenoxy)methyl]benzene
CAS Name: 1-fluoro-3-[(4-methylsulfonylphenoxy)methyl]benzene
IUPAC NAME: 1-fluoro-3-[(4-methylsulfonylphenoxy)methyl]benzene
SYSTEMATIC NAME: 1-fluoranyl-3-[(4-methylsulfonylphenoxy)methyl]benzene
MOLECULAR FORMULA: C14H13FO3S
MOLECULAR WEIGHT: 280.314623
SMILES: CS(=O)(=O)C1=CC=C(C=C1)OCC2=CC(=CC=C2)F
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Product OPENEYE NAME: 4-[2-(4-methylsulfonylphenoxy)ethoxy]benzonitrile
CAS Name: 4-[2-(4-methylsulfonylphenoxy)ethoxy]benzonitrile
IUPAC NAME: 4-[2-(4-methylsulfonylphenoxy)ethoxy]benzonitrile
SYSTEMATIC NAME: 4-[2-(4-methylsulfonylphenoxy)ethoxy]benzenecarbonitrile
MOLECULAR FORMULA: C16H15NO4S
MOLECULAR WEIGHT: 317.3596
SMILES: CS(=O)(=O)C1=CC=C(C=C1)OCCOC2=CC=C(C=C2)C#N
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Product OPENEYE NAME: 1-(3-fluoro-4-methoxy-phenyl)-2-(4-methylsulfonylphenoxy)ethanone
CAS Name: 1-(3-fluoro-4-methoxyphenyl)-2-(4-methylsulfonylphenoxy)ethanone
IUPAC NAME: 1-(3-fluoro-4-methoxyphenyl)-2-(4-methylsulfonylphenoxy)ethanone
SYSTEMATIC NAME: 1-(3-fluoranyl-4-methoxy-phenyl)-2-(4-methylsulfonylphenoxy)ethanone
MOLECULAR FORMULA: C16H15FO5S
MOLECULAR WEIGHT: 338.350703
SMILES: COC1=C(C=C(C=C1)C(=O)COC2=CC=C(C=C2)S(=O)(=O)C)F
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Product OPENEYE NAME: N-chroman-4-yl-3,5-dimethyl-isoxazole-4-sulfonamide
CAS Name: N-(3,4-dihydro-2H-1-benzopyran-4-yl)-3,5-dimethyl-4-isoxazolesulfonamide
IUPAC NAME: N-(3,4-dihydro-2H-chromen-4-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SYSTEMATIC NAME: N-(3,4-dihydro-2H-chromen-4-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
MOLECULAR FORMULA: C14H16N2O4S
MOLECULAR WEIGHT: 308.35284
SMILES: CC1=C(C(=NO1)C)S(=O)(=O)NC2CCOC3=CC=CC=C23
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Product OPENEYE NAME: N-chroman-4-yl-2,3-dihydrobenzofuran-5-sulfonamide
CAS Name: N-(3,4-dihydro-2H-1-benzopyran-4-yl)-2,3-dihydrobenzofuran-5-sulfonamide
IUPAC NAME: N-(3,4-dihydro-2H-chromen-4-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide
SYSTEMATIC NAME: N-(3,4-dihydro-2H-chromen-4-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide
MOLECULAR FORMULA: C17H17NO4S
MOLECULAR WEIGHT: 331.38618
SMILES: C1COC2=CC=CC=C2C1NS(=O)(=O)C3=CC4=C(C=C3)OCC4
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Product OPENEYE NAME: 3,5-dimethyl-N-[1-(3-pyridyl)ethyl]isoxazole-4-sulfonamide
CAS Name: 3,5-dimethyl-N-[1-(3-pyridinyl)ethyl]-4-isoxazolesulfonamide
IUPAC NAME: 3,5-dimethyl-N-(1-pyridin-3-ylethyl)-1,2-oxazole-4-sulfonamide
SYSTEMATIC NAME: 3,5-dimethyl-N-(1-pyridin-3-ylethyl)-1,2-oxazole-4-sulfonamide
MOLECULAR FORMULA: C12H15N3O3S
MOLECULAR WEIGHT: 281.3308
SMILES: CC1=C(C(=NO1)C)S(=O)(=O)NC(C)C2=CN=CC=C2
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Product OPENEYE NAME: N-[1-(3-pyridyl)ethyl]-2,3-dihydrobenzofuran-5-sulfonamide
CAS Name: N-[1-(3-pyridinyl)ethyl]-2,3-dihydrobenzofuran-5-sulfonamide
IUPAC NAME: N-(1-pyridin-3-ylethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
SYSTEMATIC NAME: N-(1-pyridin-3-ylethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
MOLECULAR FORMULA: C15H16N2O3S
MOLECULAR WEIGHT: 304.36414
SMILES: CC(C1=CN=CC=C1)NS(=O)(=O)C2=CC3=C(C=C2)OCC3
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Product OPENEYE NAME: N-(4-acetamidophenyl)-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CAS Name: N-(4-acetamidophenyl)-1-[2-furanyl(oxo)methyl]-2-pyrrolidinecarboxamide
IUPAC NAME: N-(4-acetamidophenyl)-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
SYSTEMATIC NAME: N-(4-acetamidophenyl)-1-(furan-2-ylcarbonyl)pyrrolidine-2-carboxamide
MOLECULAR FORMULA: C18H19N3O4
MOLECULAR WEIGHT: 341.36116
SMILES: CC(=O)NC1=CC=C(C=C1)NC(=O)C2CCCN2C(=O)C3=CC=CO3
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Product OPENEYE NAME: [2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-(2-thienyl)methanone
CAS Name: [2-[(2,6-dimethyl-4-morpholinyl)-oxomethyl]phenyl]-thiophen-2-ylmethanone
IUPAC NAME: [2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-thiophen-2-ylmethanone
SYSTEMATIC NAME: [2-(2,6-dimethylmorpholin-4-yl)carbonylphenyl]-thiophen-2-yl-methanone
MOLECULAR FORMULA: C18H19NO3S
MOLECULAR WEIGHT: 329.41336
SMILES: CC1CN(CC(O1)C)C(=O)C2=CC=CC=C2C(=O)C3=CC=CS3
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Product OPENEYE NAME: N-(2-furylmethyl)-4-methylsulfinyl-benzamide
CAS Name: N-(2-furanylmethyl)-4-methylsulfinylbenzamide
IUPAC NAME: N-(furan-2-ylmethyl)-4-methylsulfinylbenzamide
SYSTEMATIC NAME: N-(furan-2-ylmethyl)-4-methylsulfinyl-benzamide
MOLECULAR FORMULA: C13H13NO3S
MOLECULAR WEIGHT: 263.31222
SMILES: CS(=O)C1=CC=C(C=C1)C(=O)NCC2=CC=CO2
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Product OPENEYE NAME: 1-cyclopropyl-4-(3,4-dihydro-2H-quinoline-1-carbonyl)pyrrolidin-2-one
CAS Name: 1-cyclopropyl-4-[3,4-dihydro-2H-quinolin-1-yl(oxo)methyl]-2-pyrrolidinone
IUPAC NAME: 1-cyclopropyl-4-(3,4-dihydro-2H-quinoline-1-carbonyl)pyrrolidin-2-one
SYSTEMATIC NAME: 1-cyclopropyl-4-(3,4-dihydro-2H-quinolin-1-ylcarbonyl)pyrrolidin-2-one
MOLECULAR FORMULA: C17H20N2O2
MOLECULAR WEIGHT: 284.3529
SMILES: C1CC2=CC=CC=C2N(C1)C(=O)C3CC(=O)N(C3)C4CC4
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Product OPENEYE NAME: 5-chloro-N-(2-methoxyethyl)furan-2-carboxamide
CAS Name: 5-chloro-N-(2-methoxyethyl)-2-furancarboxamide
IUPAC NAME: 5-chloro-N-(2-methoxyethyl)furan-2-carboxamide
SYSTEMATIC NAME: 5-chloranyl-N-(2-methoxyethyl)furan-2-carboxamide
MOLECULAR FORMULA: C8H10ClNO3
MOLECULAR WEIGHT: 203.6229
SMILES: COCCNC(=O)C1=CC=C(O1)Cl
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Product OPENEYE NAME: N-(2,4-dimethylphenyl)-1-oxo-2H-isoquinoline-3-carboxamide
CAS Name: N-(2,4-dimethylphenyl)-1-oxo-2H-isoquinoline-3-carboxamide
IUPAC NAME: N-(2,4-dimethylphenyl)-1-oxo-2H-isoquinoline-3-carboxamide
SYSTEMATIC NAME: N-(2,4-dimethylphenyl)-1-oxidanylidene-2H-isoquinoline-3-carboxamide
MOLECULAR FORMULA: C18H16N2O2
MOLECULAR WEIGHT: 292.33184
SMILES: CC1=CC(=C(C=C1)NC(=O)C2=CC3=CC=CC=C3C(=O)N2)C
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Product OPENEYE NAME: (5-chloro-2-furyl)-(2-ethyl-1-piperidyl)methanone
CAS Name: (5-chloro-2-furanyl)-(2-ethyl-1-piperidinyl)methanone
IUPAC NAME: (5-chlorofuran-2-yl)-(2-ethylpiperidin-1-yl)methanone
SYSTEMATIC NAME: (5-chloranylfuran-2-yl)-(2-ethylpiperidin-1-yl)methanone
MOLECULAR FORMULA: C12H16ClNO2
MOLECULAR WEIGHT: 241.71394
SMILES: CCC1CCCCN1C(=O)C2=CC=C(O2)Cl
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