Sunday, November 25, 2012

All Chemical Compounds Information




Product OPENEYE NAME: 6-chloro-3-methylsulfonyl-chromen-2-one
CAS Name: 6-chloro-3-methylsulfonyl-1-benzopyran-2-one
IUPAC NAME: 6-chloro-3-methylsulfonylchromen-2-one
SYSTEMATIC NAME: 6-chloranyl-3-methylsulfonyl-chromen-2-one
MOLECULAR FORMULA: C10H7ClO4S
MOLECULAR WEIGHT: 258.67818
SMILES: CS(=O)(=O)C1=CC2=C(C=CC(=C2)Cl)OC1=O
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Product OPENEYE NAME: 3-methylsulfonylchromen-2-one
CAS Name: 3-methylsulfonyl-1-benzopyran-2-one
IUPAC NAME: 3-methylsulfonylchromen-2-one
SYSTEMATIC NAME: 3-methylsulfonylchromen-2-one
MOLECULAR FORMULA: C10H8O4S
MOLECULAR WEIGHT: 224.23312
SMILES: CS(=O)(=O)C1=CC2=CC=CC=C2OC1=O
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Product OPENEYE NAME: (E)-3-(3,4-dichloroanilino)-2-[4-(trifluoromethoxy)benzoyl]prop-2-enenitrile
CAS Name: (E)-3-(3,4-dichloroanilino)-2-[oxo-[4-(trifluoromethoxy)phenyl]methyl]-2-propenenitrile
IUPAC NAME: (E)-3-(3,4-dichloroanilino)-2-[4-(trifluoromethoxy)benzoyl]prop-2-enenitrile
SYSTEMATIC NAME: (E)-3-[(3,4-dichlorophenyl)amino]-2-[4-(trifluoromethyloxy)phenyl]carbonyl-prop-2-enenitrile
MOLECULAR FORMULA: C17H9Cl2F3N2O2
MOLECULAR WEIGHT: 401.16677
SMILES: C1=CC(=CC=C1C(=O)/C(=C/NC2=CC(=C(C=C2)Cl)Cl)/C#N)OC(F)(F)F
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Product OPENEYE NAME: 3-(3,4-dichlorophenyl)-2-[4-(trifluoromethoxy)benzoyl]prop-2-enenitrile
CAS Name: 3-(3,4-dichlorophenyl)-2-[oxo-[4-(trifluoromethoxy)phenyl]methyl]-2-propenenitrile
IUPAC NAME: 3-(3,4-dichlorophenyl)-2-[4-(trifluoromethoxy)benzoyl]prop-2-enenitrile
SYSTEMATIC NAME: 3-(3,4-dichlorophenyl)-2-[4-(trifluoromethyloxy)phenyl]carbonyl-prop-2-enenitrile
MOLECULAR FORMULA: C17H8Cl2F3NO2
MOLECULAR WEIGHT: 386.15213
SMILES: C1=CC(=CC=C1C(=O)C(=CC2=CC(=C(C=C2)Cl)Cl)C#N)OC(F)(F)F
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Product OPENEYE NAME: (E)-3-anilino-2-[4-(trifluoromethoxy)benzoyl]prop-2-enenitrile
CAS Name: (E)-3-anilino-2-[oxo-[4-(trifluoromethoxy)phenyl]methyl]-2-propenenitrile
IUPAC NAME: (E)-3-anilino-2-[4-(trifluoromethoxy)benzoyl]prop-2-enenitrile
SYSTEMATIC NAME: (E)-3-phenylazanyl-2-[4-(trifluoromethyloxy)phenyl]carbonyl-prop-2-enenitrile
MOLECULAR FORMULA: C17H11F3N2O2
MOLECULAR WEIGHT: 332.27665
SMILES: C1=CC=C(C=C1)N/C=C(\C#N)/C(=O)C2=CC=C(C=C2)OC(F)(F)F
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Product OPENEYE NAME: N-(3,4-dichloroanilino)-2-oxo-2-[2-(trifluoromethoxy)phenyl]acetimidoyl cyanide
CAS Name: 2-[(3,4-dichlorophenyl)hydrazinylidene]-3-oxo-3-[2-(trifluoromethoxy)phenyl]propanenitrile
IUPAC NAME: N-(3,4-dichloroanilino)-2-oxo-2-[2-(trifluoromethoxy)phenyl]ethanimidoyl cyanide
SYSTEMATIC NAME: 2-[(3,4-dichlorophenyl)hydrazinylidene]-3-oxidanylidene-3-[2-(trifluoromethyloxy)phenyl]propanenitrile
MOLECULAR FORMULA: C16H8Cl2F3N3O2
MOLECULAR WEIGHT: 402.15483
SMILES: C1=CC=C(C(=C1)C(=O)C(=NNC2=CC(=C(C=C2)Cl)Cl)C#N)OC(F)(F)F
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Product OPENEYE NAME: (E)-3-[3,5-bis(trifluoromethyl)anilino]-2-[4-(trifluoromethoxy)benzoyl]prop-2-enenitrile
CAS Name: (E)-3-[3,5-bis(trifluoromethyl)anilino]-2-[oxo-[4-(trifluoromethoxy)phenyl]methyl]-2-propenenitrile
IUPAC NAME: (E)-3-[3,5-bis(trifluoromethyl)anilino]-2-[4-(trifluoromethoxy)benzoyl]prop-2-enenitrile
SYSTEMATIC NAME: (E)-3-[[3,5-bis(trifluoromethyl)phenyl]amino]-2-[4-(trifluoromethyloxy)phenyl]carbonyl-prop-2-enenitrile
MOLECULAR FORMULA: C19H9F9N2O2
MOLECULAR WEIGHT: 468.272589
SMILES: C1=CC(=CC=C1C(=O)/C(=C/NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)/C#N)OC(F)(F)F
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Product OPENEYE NAME: 2-[[5-(trifluoromethyl)-2-pyridyl]sulfonyl]acetonitrile
CAS Name: 2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]acetonitrile
IUPAC NAME: 2-[5-(trifluoromethyl)pyridin-2-yl]sulfonylacetonitrile
SYSTEMATIC NAME: 2-[5-(trifluoromethyl)pyridin-2-yl]sulfonylethanenitrile
MOLECULAR FORMULA: C8H5F3N2O2S
MOLECULAR WEIGHT: 250.19771
SMILES: C1=CC(=NC=C1C(F)(F)F)S(=O)(=O)CC#N
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Product OPENEYE NAME: N-(2-chloroanilino)-2-oxo-2-[2-(trifluoromethoxy)phenyl]acetimidoyl cyanide
CAS Name: 2-[(2-chlorophenyl)hydrazinylidene]-3-oxo-3-[2-(trifluoromethoxy)phenyl]propanenitrile
IUPAC NAME: N-(2-chloroanilino)-2-oxo-2-[2-(trifluoromethoxy)phenyl]ethanimidoyl cyanide
SYSTEMATIC NAME: 2-[(2-chlorophenyl)hydrazinylidene]-3-oxidanylidene-3-[2-(trifluoromethyloxy)phenyl]propanenitrile
MOLECULAR FORMULA: C16H9ClF3N3O2
MOLECULAR WEIGHT: 367.70977
SMILES: C1=CC=C(C(=C1)C(=O)C(=NNC2=CC=CC=C2Cl)C#N)OC(F)(F)F
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Product OPENEYE NAME: N-anilino-2-oxo-2-[2-(trifluoromethoxy)phenyl]acetimidoyl cyanide
CAS Name: 3-oxo-2-(phenylhydrazinylidene)-3-[2-(trifluoromethoxy)phenyl]propanenitrile
IUPAC NAME: N-anilino-2-oxo-2-[2-(trifluoromethoxy)phenyl]ethanimidoyl cyanide
SYSTEMATIC NAME: 3-oxidanylidene-2-(phenylhydrazinylidene)-3-[2-(trifluoromethyloxy)phenyl]propanenitrile
MOLECULAR FORMULA: C16H10F3N3O2
MOLECULAR WEIGHT: 333.26471
SMILES: C1=CC=C(C=C1)NN=C(C#N)C(=O)C2=CC=CC=C2OC(F)(F)F
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Product OPENEYE NAME: N-(4-methylanilino)-2-oxo-2-[2-(trifluoromethoxy)phenyl]acetimidoyl cyanide
CAS Name: 2-[(4-methylphenyl)hydrazinylidene]-3-oxo-3-[2-(trifluoromethoxy)phenyl]propanenitrile
IUPAC NAME: N-(4-methylanilino)-2-oxo-2-[2-(trifluoromethoxy)phenyl]ethanimidoyl cyanide
SYSTEMATIC NAME: 2-[(4-methylphenyl)hydrazinylidene]-3-oxidanylidene-3-[2-(trifluoromethyloxy)phenyl]propanenitrile
MOLECULAR FORMULA: C17H12F3N3O2
MOLECULAR WEIGHT: 347.29129
SMILES: CC1=CC=C(C=C1)NN=C(C#N)C(=O)C2=CC=CC=C2OC(F)(F)F
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Product OPENEYE NAME: 3-propylsulfonylchromen-2-one
CAS Name: 3-propylsulfonyl-1-benzopyran-2-one
IUPAC NAME: 3-propylsulfonylchromen-2-one
SYSTEMATIC NAME: 3-propylsulfonylchromen-2-one
MOLECULAR FORMULA: C12H12O4S
MOLECULAR WEIGHT: 252.28628
SMILES: CCCS(=O)(=O)C1=CC2=CC=CC=C2OC1=O
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Product OPENEYE NAME: (E)-3-(pyrazin-2-ylamino)-2-[3-(trifluoromethyl)benzoyl]prop-2-enenitrile
CAS Name: (E)-2-[oxo-[3-(trifluoromethyl)phenyl]methyl]-3-(2-pyrazinylamino)-2-propenenitrile
IUPAC NAME: (E)-3-(pyrazin-2-ylamino)-2-[3-(trifluoromethyl)benzoyl]prop-2-enenitrile
SYSTEMATIC NAME: (E)-3-(pyrazin-2-ylamino)-2-[3-(trifluoromethyl)phenyl]carbonyl-prop-2-enenitrile
MOLECULAR FORMULA: C15H9F3N4O
MOLECULAR WEIGHT: 318.25337
SMILES: C1=CC(=CC(=C1)C(F)(F)F)C(=O)/C(=C/NC2=NC=CN=C2)/C#N
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Product OPENEYE NAME: (E)-3-(pyrazin-2-ylamino)-2-(thiophene-2-carbonyl)prop-2-enenitrile
CAS Name: (E)-2-[oxo(thiophen-2-yl)methyl]-3-(2-pyrazinylamino)-2-propenenitrile
IUPAC NAME: (E)-3-(pyrazin-2-ylamino)-2-(thiophene-2-carbonyl)prop-2-enenitrile
SYSTEMATIC NAME: (E)-3-(pyrazin-2-ylamino)-2-thiophen-2-ylcarbonyl-prop-2-enenitrile
MOLECULAR FORMULA: C12H8N4OS
MOLECULAR WEIGHT: 256.28312
SMILES: C1=CSC(=C1)C(=O)/C(=C/NC2=NC=CN=C2)/C#N
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Product OPENEYE NAME: (E)-2-(4-chlorophenyl)sulfonyl-3-(pyrazin-2-ylamino)prop-2-enenitrile
CAS Name: (E)-2-(4-chlorophenyl)sulfonyl-3-(2-pyrazinylamino)-2-propenenitrile
IUPAC NAME: (E)-2-(4-chlorophenyl)sulfonyl-3-(pyrazin-2-ylamino)prop-2-enenitrile
SYSTEMATIC NAME: (E)-2-(4-chlorophenyl)sulfonyl-3-(pyrazin-2-ylamino)prop-2-enenitrile
MOLECULAR FORMULA: C13H9ClN4O2S
MOLECULAR WEIGHT: 320.75416
SMILES: C1=CC(=CC=C1S(=O)(=O)/C(=C/NC2=NC=CN=C2)/C#N)Cl
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Product OPENEYE NAME: (E)-2-methylsulfonyl-3-(pyrazin-2-ylamino)prop-2-enenitrile
CAS Name: (E)-2-methylsulfonyl-3-(2-pyrazinylamino)-2-propenenitrile
IUPAC NAME: (E)-2-methylsulfonyl-3-(pyrazin-2-ylamino)prop-2-enenitrile
SYSTEMATIC NAME: (E)-2-methylsulfonyl-3-(pyrazin-2-ylamino)prop-2-enenitrile
MOLECULAR FORMULA: C8H8N4O2S
MOLECULAR WEIGHT: 224.23972
SMILES: CS(=O)(=O)/C(=C/NC1=NC=CN=C1)/C#N
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Product OPENEYE NAME: (E)-3-(pyrazin-2-ylamino)-2-[[5-(trifluoromethyl)-2-pyridyl]sulfonyl]prop-2-enenitrile
CAS Name: (E)-3-(2-pyrazinylamino)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-2-propenenitrile
IUPAC NAME: (E)-3-(pyrazin-2-ylamino)-2-[5-(trifluoromethyl)pyridin-2-yl]sulfonylprop-2-enenitrile
SYSTEMATIC NAME: (E)-3-(pyrazin-2-ylamino)-2-[5-(trifluoromethyl)pyridin-2-yl]sulfonyl-prop-2-enenitrile
MOLECULAR FORMULA: C13H8F3N5O2S
MOLECULAR WEIGHT: 355.29513
SMILES: C1=CC(=NC=C1C(F)(F)F)S(=O)(=O)/C(=C/NC2=NC=CN=C2)/C#N
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Product OPENEYE NAME: 2-(5-nitro-2-thienyl)pyridine
CAS Name: 2-(5-nitro-2-thiophenyl)pyridine
IUPAC NAME: 2-(5-nitrothiophen-2-yl)pyridine
SYSTEMATIC NAME: 2-(5-nitrothiophen-2-yl)pyridine
MOLECULAR FORMULA: C9H6N2O2S
MOLECULAR WEIGHT: 206.22114
SMILES: C1=CC=NC(=C1)C2=CC=C(S2)[N+](=O)[O-]
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Product OPENEYE NAME: 4-(benzenesulfonyl)-2-nitro-thiophene
CAS Name: 4-(benzenesulfonyl)-2-nitrothiophene
IUPAC NAME: 4-(benzenesulfonyl)-2-nitrothiophene
SYSTEMATIC NAME: 2-nitro-4-(phenylsulfonyl)thiophene
MOLECULAR FORMULA: C10H7NO4S2
MOLECULAR WEIGHT: 269.29688
SMILES: C1=CC=C(C=C1)S(=O)(=O)C2=CSC(=C2)[N+](=O)[O-]
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Product OPENEYE NAME: 2-acetoxy-5-chloro-benzoic acid
CAS Name: 2-acetyloxy-5-chlorobenzoic acid
IUPAC NAME: 2-acetyloxy-5-chlorobenzoic acid
SYSTEMATIC NAME: 2-acetyloxy-5-chloranyl-benzoic acid
MOLECULAR FORMULA: C9H7ClO4
MOLECULAR WEIGHT: 214.60248
SMILES: CC(=O)OC1=C(C=C(C=C1)Cl)C(=O)O
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Product OPENEYE NAME: 2-[[5-(1-piperidylsulfonyl)-2-thienyl]sulfonyl]-5-(trifluoromethyl)pyridine
CAS Name: 2-[[5-(1-piperidinylsulfonyl)-2-thiophenyl]sulfonyl]-5-(trifluoromethyl)pyridine
IUPAC NAME: 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)sulfonyl-5-(trifluoromethyl)pyridine
SYSTEMATIC NAME: 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)sulfonyl-5-(trifluoromethyl)pyridine
MOLECULAR FORMULA: C15H15F3N2O4S3
MOLECULAR WEIGHT: 440.48081
SMILES: C1CCN(CC1)S(=O)(=O)C2=CC=C(S2)S(=O)(=O)C3=NC=C(C=C3)C(F)(F)F
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