Tuesday, October 30, 2012

All Chemical Compounds Information




Product OPENEYE NAME: 2-[[4-(1,3-benzodioxol-5-yl)-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-chlorophenyl)acetamide
CAS Name: 2-[[4-(1,3-benzodioxol-5-yl)-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]thio]-N-(2-chlorophenyl)acetamide
IUPAC NAME: 2-[[4-(1,3-benzodioxol-5-yl)-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-chlorophenyl)acetamide
SYSTEMATIC NAME: 2-[[4-(1,3-benzodioxol-5-yl)-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-chlorophenyl)ethanamide
MOLECULAR FORMULA: C27H25ClN4O3S
MOLECULAR WEIGHT: 521.0304
SMILES: CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3=CC4=C(C=C3)OCO4)SCC(=O)NC5=CC=CC=C5Cl
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Product OPENEYE NAME: 2-(1,3-benzothiazol-2-yl)-N-carbamoyl-acetamide
CAS Name: 2-(1,3-benzothiazol-2-yl)-N-carbamoylacetamide
IUPAC NAME: 2-(1,3-benzothiazol-2-yl)-N-carbamoylacetamide
SYSTEMATIC NAME: N-aminocarbonyl-2-(1,3-benzothiazol-2-yl)ethanamide
MOLECULAR FORMULA: C10H9N3O2S
MOLECULAR WEIGHT: 235.26236
SMILES: C1=CC=C2C(=C1)N=C(S2)CC(=O)NC(=O)N
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Product OPENEYE NAME: 5-(4-tert-butyl-2-methyl-anilino)-3,3-dimethyl-5-oxo-pentanoic acid
CAS Name: 5-(4-tert-butyl-2-methylanilino)-3,3-dimethyl-5-oxopentanoic acid
IUPAC NAME: 5-(4-tert-butyl-2-methylanilino)-3,3-dimethyl-5-oxopentanoic acid
SYSTEMATIC NAME: 5-[(4-tert-butyl-2-methyl-phenyl)amino]-3,3-dimethyl-5-oxidanylidene-pentanoic acid
MOLECULAR FORMULA: C18H27NO3
MOLECULAR WEIGHT: 305.41188
SMILES: CC1=C(C=CC(=C1)C(C)(C)C)NC(=O)CC(C)(C)CC(=O)O
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Product OPENEYE NAME: 2-[2-(4-tert-butyl-2-methyl-anilino)-2-oxo-ethoxy]acetic acid
CAS Name: 2-[2-(4-tert-butyl-2-methylanilino)-2-oxoethoxy]acetic acid
IUPAC NAME: 2-[2-(4-tert-butyl-2-methylanilino)-2-oxoethoxy]acetic acid
SYSTEMATIC NAME: 2-[2-[(4-tert-butyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethoxy]ethanoic acid
MOLECULAR FORMULA: C15H21NO4
MOLECULAR WEIGHT: 279.33154
SMILES: CC1=C(C=CC(=C1)C(C)(C)C)NC(=O)COCC(=O)O
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Product OPENEYE NAME: 4-(4-tert-butyl-2-methyl-anilino)-4-oxo-butanoic acid
CAS Name: 4-(4-tert-butyl-2-methylanilino)-4-oxobutanoic acid
IUPAC NAME: 4-(4-tert-butyl-2-methylanilino)-4-oxobutanoic acid
SYSTEMATIC NAME: 4-[(4-tert-butyl-2-methyl-phenyl)amino]-4-oxidanylidene-butanoic acid
MOLECULAR FORMULA: C15H21NO3
MOLECULAR WEIGHT: 263.33214
SMILES: CC1=C(C=CC(=C1)C(C)(C)C)NC(=O)CCC(=O)O
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Product OPENEYE NAME: 2-[2-(benzofuran-2-yl)-2-oxo-ethyl]sulfanylpyridine-3-carboxylic acid
CAS Name: 2-[[2-(2-benzofuranyl)-2-oxoethyl]thio]-3-pyridinecarboxylic acid
IUPAC NAME: 2-[2-(1-benzofuran-2-yl)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid
SYSTEMATIC NAME: 2-[2-(1-benzofuran-2-yl)-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid
MOLECULAR FORMULA: C16H11NO4S
MOLECULAR WEIGHT: 313.32784
SMILES: C1=CC=C2C(=C1)C=C(O2)C(=O)CSC3=C(C=CC=N3)C(=O)O
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Product OPENEYE NAME: 2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-1-phenyl-ethanone
CAS Name: 2-[[1-(2,4-dimethylphenyl)-5-tetrazolyl]thio]-1-phenylethanone
IUPAC NAME: 2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-1-phenylethanone
SYSTEMATIC NAME: 2-[[1-(2,4-dimethylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-1-phenyl-ethanone
MOLECULAR FORMULA: C17H16N4OS
MOLECULAR WEIGHT: 324.40014
SMILES: CC1=CC(=C(C=C1)N2C(=NN=N2)SCC(=O)C3=CC=CC=C3)C
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Product OPENEYE NAME: 2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-1-(4-methoxyphenyl)ethanone
CAS Name: 2-[[1-(2,4-dimethylphenyl)-5-tetrazolyl]thio]-1-(4-methoxyphenyl)ethanone
IUPAC NAME: 2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-1-(4-methoxyphenyl)ethanone
SYSTEMATIC NAME: 2-[[1-(2,4-dimethylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-1-(4-methoxyphenyl)ethanone
MOLECULAR FORMULA: C18H18N4O2S
MOLECULAR WEIGHT: 354.42612
SMILES: CC1=CC(=C(C=C1)N2C(=NN=N2)SCC(=O)C3=CC=C(C=C3)OC)C
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Product OPENEYE NAME: 2-[5-chloro-6-methyl-2-(2-pyridyl)pyrimidin-4-yl]sulfanyl-1-phenyl-ethanone
CAS Name: 2-[[5-chloro-6-methyl-2-(2-pyridinyl)-4-pyrimidinyl]thio]-1-phenylethanone
IUPAC NAME: 2-(5-chloro-6-methyl-2-pyridin-2-ylpyrimidin-4-yl)sulfanyl-1-phenylethanone
SYSTEMATIC NAME: 2-(5-chloranyl-6-methyl-2-pyridin-2-yl-pyrimidin-4-yl)sulfanyl-1-phenyl-ethanone
MOLECULAR FORMULA: C18H14ClN3OS
MOLECULAR WEIGHT: 355.84126
SMILES: CC1=C(C(=NC(=N1)C2=CC=CC=N2)SCC(=O)C3=CC=CC=C3)Cl
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Product OPENEYE NAME: 2-[5-chloro-6-methyl-2-(2-pyridyl)pyrimidin-4-yl]sulfanyl-1-(4-fluorophenyl)ethanone
CAS Name: 2-[[5-chloro-6-methyl-2-(2-pyridinyl)-4-pyrimidinyl]thio]-1-(4-fluorophenyl)ethanone
IUPAC NAME: 2-(5-chloro-6-methyl-2-pyridin-2-ylpyrimidin-4-yl)sulfanyl-1-(4-fluorophenyl)ethanone
SYSTEMATIC NAME: 2-(5-chloranyl-6-methyl-2-pyridin-2-yl-pyrimidin-4-yl)sulfanyl-1-(4-fluorophenyl)ethanone
MOLECULAR FORMULA: C18H13ClFN3OS
MOLECULAR WEIGHT: 373.831723
SMILES: CC1=C(C(=NC(=N1)C2=CC=CC=N2)SCC(=O)C3=CC=C(C=C3)F)Cl
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Product OPENEYE NAME: 2-[5-chloro-6-methyl-2-(2-pyridyl)pyrimidin-4-yl]sulfanyl-1-morpholino-ethanone
CAS Name: 2-[[5-chloro-6-methyl-2-(2-pyridinyl)-4-pyrimidinyl]thio]-1-(4-morpholinyl)ethanone
IUPAC NAME: 2-(5-chloro-6-methyl-2-pyridin-2-ylpyrimidin-4-yl)sulfanyl-1-morpholin-4-ylethanone
SYSTEMATIC NAME: 2-(5-chloranyl-6-methyl-2-pyridin-2-yl-pyrimidin-4-yl)sulfanyl-1-morpholin-4-yl-ethanone
MOLECULAR FORMULA: C16H17ClN4O2S
MOLECULAR WEIGHT: 364.84978
SMILES: CC1=C(C(=NC(=N1)C2=CC=CC=N2)SCC(=O)N3CCOCC3)Cl
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Product OPENEYE NAME: 2-[5-chloro-6-methyl-2-(2-pyridyl)pyrimidin-4-yl]sulfanyl-1-(4-methoxyphenyl)ethanone
CAS Name: 2-[[5-chloro-6-methyl-2-(2-pyridinyl)-4-pyrimidinyl]thio]-1-(4-methoxyphenyl)ethanone
IUPAC NAME: 2-(5-chloro-6-methyl-2-pyridin-2-ylpyrimidin-4-yl)sulfanyl-1-(4-methoxyphenyl)ethanone
SYSTEMATIC NAME: 2-(5-chloranyl-6-methyl-2-pyridin-2-yl-pyrimidin-4-yl)sulfanyl-1-(4-methoxyphenyl)ethanone
MOLECULAR FORMULA: C19H16ClN3O2S
MOLECULAR WEIGHT: 385.86724
SMILES: CC1=C(C(=NC(=N1)C2=CC=CC=N2)SCC(=O)C3=CC=C(C=C3)OC)Cl
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Product OPENEYE NAME: N-[4-(3,5-dichlorophenyl)-2,5-dioxo-piperazin-1-yl]thiophene-2-carboxamide
CAS Name: N-[4-(3,5-dichlorophenyl)-2,5-dioxo-1-piperazinyl]-2-thiophenecarboxamide
IUPAC NAME: N-[4-(3,5-dichlorophenyl)-2,5-dioxopiperazin-1-yl]thiophene-2-carboxamide
SYSTEMATIC NAME: N-[4-[3,5-bis(chloranyl)phenyl]-2,5-bis(oxidanylidene)piperazin-1-yl]thiophene-2-carboxamide
MOLECULAR FORMULA: C15H11Cl2N3O3S
MOLECULAR WEIGHT: 384.23714
SMILES: C1C(=O)N(CC(=O)N1C2=CC(=CC(=C2)Cl)Cl)NC(=O)C3=CC=CS3
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Product OPENEYE NAME: N-[4-(3,5-dichlorophenyl)-2,5-dioxo-piperazin-1-yl]-4-propyl-benzamide
CAS Name: N-[4-(3,5-dichlorophenyl)-2,5-dioxo-1-piperazinyl]-4-propylbenzamide
IUPAC NAME: N-[4-(3,5-dichlorophenyl)-2,5-dioxopiperazin-1-yl]-4-propylbenzamide
SYSTEMATIC NAME: N-[4-[3,5-bis(chloranyl)phenyl]-2,5-bis(oxidanylidene)piperazin-1-yl]-4-propyl-benzamide
MOLECULAR FORMULA: C20H19Cl2N3O3
MOLECULAR WEIGHT: 420.28916
SMILES: CCCC1=CC=C(C=C1)C(=O)NN2CC(=O)N(CC2=O)C3=CC(=CC(=C3)Cl)Cl
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Product OPENEYE NAME: N-[4-(3,5-dichlorophenyl)-2,5-dioxo-piperazin-1-yl]-3-phenyl-propanamide
CAS Name: N-[4-(3,5-dichlorophenyl)-2,5-dioxo-1-piperazinyl]-3-phenylpropanamide
IUPAC NAME: N-[4-(3,5-dichlorophenyl)-2,5-dioxopiperazin-1-yl]-3-phenylpropanamide
SYSTEMATIC NAME: N-[4-[3,5-bis(chloranyl)phenyl]-2,5-bis(oxidanylidene)piperazin-1-yl]-3-phenyl-propanamide
MOLECULAR FORMULA: C19H17Cl2N3O3
MOLECULAR WEIGHT: 406.26258
SMILES: C1C(=O)N(CC(=O)N1C2=CC(=CC(=C2)Cl)Cl)NC(=O)CCC3=CC=CC=C3
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Product OPENEYE NAME: 3-chloro-N-[4-(3,5-dichlorophenyl)-2,5-dioxo-piperazin-1-yl]thiophene-2-carboxamide
CAS Name: 3-chloro-N-[4-(3,5-dichlorophenyl)-2,5-dioxo-1-piperazinyl]-2-thiophenecarboxamide
IUPAC NAME: 3-chloro-N-[4-(3,5-dichlorophenyl)-2,5-dioxopiperazin-1-yl]thiophene-2-carboxamide
SYSTEMATIC NAME: N-[4-[3,5-bis(chloranyl)phenyl]-2,5-bis(oxidanylidene)piperazin-1-yl]-3-chloranyl-thiophene-2-carboxamide
MOLECULAR FORMULA: C15H10Cl3N3O3S
MOLECULAR WEIGHT: 418.6822
SMILES: C1C(=O)N(CC(=O)N1C2=CC(=CC(=C2)Cl)Cl)NC(=O)C3=C(C=CS3)Cl
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Product OPENEYE NAME: 2-bromo-N-[4-(3,5-dichlorophenyl)-2,5-dioxo-piperazin-1-yl]benzamide
CAS Name: 2-bromo-N-[4-(3,5-dichlorophenyl)-2,5-dioxo-1-piperazinyl]benzamide
IUPAC NAME: 2-bromo-N-[4-(3,5-dichlorophenyl)-2,5-dioxopiperazin-1-yl]benzamide
SYSTEMATIC NAME: N-[4-[3,5-bis(chloranyl)phenyl]-2,5-bis(oxidanylidene)piperazin-1-yl]-2-bromanyl-benzamide
MOLECULAR FORMULA: C17H12BrCl2N3O3
MOLECULAR WEIGHT: 457.10548
SMILES: C1C(=O)N(CC(=O)N1C2=CC(=CC(=C2)Cl)Cl)NC(=O)C3=CC=CC=C3Br
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Product OPENEYE NAME: 2-[2-hydroxy-2-(3-nitrophenyl)ethyl]sulfanyl-4,6-dimethyl-pyridine-3-carbonitrile
CAS Name: 2-[[2-hydroxy-2-(3-nitrophenyl)ethyl]thio]-4,6-dimethyl-3-pyridinecarbonitrile
IUPAC NAME: 2-[2-hydroxy-2-(3-nitrophenyl)ethyl]sulfanyl-4,6-dimethylpyridine-3-carbonitrile
SYSTEMATIC NAME: 4,6-dimethyl-2-[2-(3-nitrophenyl)-2-oxidanyl-ethyl]sulfanyl-pyridine-3-carbonitrile
MOLECULAR FORMULA: C16H15N3O3S
MOLECULAR WEIGHT: 329.3736
SMILES: CC1=CC(=NC(=C1C#N)SCC(C2=CC(=CC=C2)[N+](=O)[O-])O)C
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Product OPENEYE NAME: 2-[(2-ethylphenyl)methylsulfanyl]-4,6-dimethyl-pyridine-3-carbonitrile
CAS Name: 2-[(2-ethylphenyl)methylthio]-4,6-dimethyl-3-pyridinecarbonitrile
IUPAC NAME: 2-[(2-ethylphenyl)methylsulfanyl]-4,6-dimethylpyridine-3-carbonitrile
SYSTEMATIC NAME: 2-[(2-ethylphenyl)methylsulfanyl]-4,6-dimethyl-pyridine-3-carbonitrile
MOLECULAR FORMULA: C17H18N2S
MOLECULAR WEIGHT: 282.40322
SMILES: CCC1=CC=CC=C1CSC2=C(C(=CC(=N2)C)C)C#N
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