Monday, November 26, 2012

All Chemical Compounds Information




Product OPENEYE NAME: 2-(2-phenoxyethylsulfanyl)-N-(2-pyridylmethyl)acetamide
CAS Name: 2-(2-phenoxyethylthio)-N-(2-pyridinylmethyl)acetamide
IUPAC NAME: 2-(2-phenoxyethylsulfanyl)-N-(pyridin-2-ylmethyl)acetamide
SYSTEMATIC NAME: 2-(2-phenoxyethylsulfanyl)-N-(pyridin-2-ylmethyl)ethanamide
MOLECULAR FORMULA: C16H18N2O2S
MOLECULAR WEIGHT: 302.39132
SMILES: C1=CC=C(C=C1)OCCSCC(=O)NCC2=CC=CC=N2
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Product OPENEYE NAME: 2-(2-phenoxyethylsulfanyl)-N-(3-pyridylmethyl)acetamide
CAS Name: 2-(2-phenoxyethylthio)-N-(3-pyridinylmethyl)acetamide
IUPAC NAME: 2-(2-phenoxyethylsulfanyl)-N-(pyridin-3-ylmethyl)acetamide
SYSTEMATIC NAME: 2-(2-phenoxyethylsulfanyl)-N-(pyridin-3-ylmethyl)ethanamide
MOLECULAR FORMULA: C16H18N2O2S
MOLECULAR WEIGHT: 302.39132
SMILES: C1=CC=C(C=C1)OCCSCC(=O)NCC2=CN=CC=C2
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Product OPENEYE NAME: methyl 3-[[1-(3,4-dichlorophenyl)ethylideneamino]oxymethyl]benzoate
CAS Name: 3-[[1-(3,4-dichlorophenyl)ethylideneamino]oxymethyl]benzoic acid methyl ester
IUPAC NAME: methyl 3-[[1-(3,4-dichlorophenyl)ethylideneamino]oxymethyl]benzoate
SYSTEMATIC NAME: methyl 3-[[1-(3,4-dichlorophenyl)ethylideneamino]oxymethyl]benzoate
MOLECULAR FORMULA: C17H15Cl2NO3
MOLECULAR WEIGHT: 352.2119
SMILES: CC(=NOCC1=CC=CC(=C1)C(=O)OC)C2=CC(=C(C=C2)Cl)Cl
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Product OPENEYE NAME: (2,3-dihydrobenzofuran-5-ylmethyleneamino) 4-chlorobenzoate
CAS Name: 4-chlorobenzoic acid (2,3-dihydrobenzofuran-5-ylmethylideneamino) ester
IUPAC NAME: (2,3-dihydro-1-benzofuran-5-ylmethylideneamino) 4-chlorobenzoate
SYSTEMATIC NAME: (2,3-dihydro-1-benzofuran-5-ylmethylideneamino) 4-chloranylbenzoate
MOLECULAR FORMULA: C16H12ClNO3
MOLECULAR WEIGHT: 301.72438
SMILES: C1COC2=C1C=C(C=C2)C=NOC(=O)C3=CC=C(C=C3)Cl
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Product OPENEYE NAME: (2,3-dihydrobenzofuran-5-ylmethyleneamino) N-(4-chlorophenyl)carbamate
CAS Name: N-(4-chlorophenyl)carbamic acid (2,3-dihydrobenzofuran-5-ylmethylideneamino) ester
IUPAC NAME: (2,3-dihydro-1-benzofuran-5-ylmethylideneamino) N-(4-chlorophenyl)carbamate
SYSTEMATIC NAME: (2,3-dihydro-1-benzofuran-5-ylmethylideneamino) N-(4-chlorophenyl)carbamate
MOLECULAR FORMULA: C16H13ClN2O3
MOLECULAR WEIGHT: 316.73902
SMILES: C1COC2=C1C=C(C=C2)C=NOC(=O)NC3=CC=C(C=C3)Cl
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Product OPENEYE NAME: (2,3-dihydrobenzofuran-5-ylmethyleneamino) N-(p-tolyl)carbamate
CAS Name: N-(4-methylphenyl)carbamic acid (2,3-dihydrobenzofuran-5-ylmethylideneamino) ester
IUPAC NAME: (2,3-dihydro-1-benzofuran-5-ylmethylideneamino) N-(4-methylphenyl)carbamate
SYSTEMATIC NAME: (2,3-dihydro-1-benzofuran-5-ylmethylideneamino) N-(4-methylphenyl)carbamate
MOLECULAR FORMULA: C17H16N2O3
MOLECULAR WEIGHT: 296.32054
SMILES: CC1=CC=C(C=C1)NC(=O)ON=CC2=CC3=C(C=C2)OCC3
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Product OPENEYE NAME: (2,3-dihydrobenzofuran-5-ylmethyleneamino) N-(m-tolyl)carbamate
CAS Name: N-(3-methylphenyl)carbamic acid (2,3-dihydrobenzofuran-5-ylmethylideneamino) ester
IUPAC NAME: (2,3-dihydro-1-benzofuran-5-ylmethylideneamino) N-(3-methylphenyl)carbamate
SYSTEMATIC NAME: (2,3-dihydro-1-benzofuran-5-ylmethylideneamino) N-(3-methylphenyl)carbamate
MOLECULAR FORMULA: C17H16N2O3
MOLECULAR WEIGHT: 296.32054
SMILES: CC1=CC(=CC=C1)NC(=O)ON=CC2=CC3=C(C=C2)OCC3
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Product OPENEYE NAME: [[amino(2,1,3-benzoxadiazol-5-yl)methylene]amino] N-phenylcarbamate
CAS Name: N-phenylcarbamic acid [[amino(2,1,3-benzoxadiazol-5-yl)methylidene]amino] ester
IUPAC NAME: [[amino(2,1,3-benzoxadiazol-5-yl)methylidene]amino] N-phenylcarbamate
SYSTEMATIC NAME: [[azanyl(2,1,3-benzoxadiazol-5-yl)methylidene]amino] N-phenylcarbamate
MOLECULAR FORMULA: C14H11N5O3
MOLECULAR WEIGHT: 297.26884
SMILES: C1=CC=C(C=C1)NC(=O)ON=C(C2=CC3=NON=C3C=C2)N
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Product OPENEYE NAME: phenyl 3-[[1-(3,4-dimethoxyphenyl)ethylideneamino]oxymethyl]benzoate
CAS Name: 3-[[1-(3,4-dimethoxyphenyl)ethylideneamino]oxymethyl]benzoic acid phenyl ester
IUPAC NAME: phenyl 3-[[1-(3,4-dimethoxyphenyl)ethylideneamino]oxymethyl]benzoate
SYSTEMATIC NAME: phenyl 3-[[1-(3,4-dimethoxyphenyl)ethylideneamino]oxymethyl]benzoate
MOLECULAR FORMULA: C24H23NO5
MOLECULAR WEIGHT: 405.44312
SMILES: CC(=NOCC1=CC=CC(=C1)C(=O)OC2=CC=CC=C2)C3=CC(=C(C=C3)OC)OC
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Product OPENEYE NAME: 2,8-diisopropyl-4H-1,4-benzoxazin-3-one
CAS Name: 2,8-di(propan-2-yl)-4H-1,4-benzoxazin-3-one
IUPAC NAME: 2,8-di(propan-2-yl)-4H-1,4-benzoxazin-3-one
SYSTEMATIC NAME: 2,8-di(propan-2-yl)-4H-1,4-benzoxazin-3-one
MOLECULAR FORMULA: C14H19NO2
MOLECULAR WEIGHT: 233.30616
SMILES: CC(C)C1C(=O)NC2=CC=CC(=C2O1)C(C)C
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Product OPENEYE NAME: 4-(4-nitro-2,1,3-benzothiadiazol-5-yl)morpholine
CAS Name: 4-(4-nitro-2,1,3-benzothiadiazol-5-yl)morpholine
IUPAC NAME: 4-(4-nitro-2,1,3-benzothiadiazol-5-yl)morpholine
SYSTEMATIC NAME: 4-(4-nitro-2,1,3-benzothiadiazol-5-yl)morpholine
MOLECULAR FORMULA: C10H10N4O3S
MOLECULAR WEIGHT: 266.2764
SMILES: C1COCCN1C2=C(C3=NSN=C3C=C2)[N+](=O)[O-]
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Product OPENEYE NAME: ethyl 2-(2,8-diisopropyl-3-oxo-1,4-benzoxazin-4-yl)acetate
CAS Name: 2-[3-oxo-2,8-di(propan-2-yl)-1,4-benzoxazin-4-yl]acetic acid ethyl ester
IUPAC NAME: ethyl 2-[3-oxo-2,8-di(propan-2-yl)-1,4-benzoxazin-4-yl]acetate
SYSTEMATIC NAME: ethyl 2-[3-oxidanylidene-2,8-di(propan-2-yl)-1,4-benzoxazin-4-yl]ethanoate
MOLECULAR FORMULA: C18H25NO4
MOLECULAR WEIGHT: 319.3954
SMILES: CCOC(=O)CN1C2=CC=CC(=C2OC(C1=O)C(C)C)C(C)C
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Product OPENEYE NAME: [[amino(2,1,3-benzoxadiazol-5-yl)methylene]amino] N-(3-chlorophenyl)carbamate
CAS Name: N-(3-chlorophenyl)carbamic acid [[amino(2,1,3-benzoxadiazol-5-yl)methylidene]amino] ester
IUPAC NAME: [[amino(2,1,3-benzoxadiazol-5-yl)methylidene]amino] N-(3-chlorophenyl)carbamate
SYSTEMATIC NAME: [[azanyl(2,1,3-benzoxadiazol-5-yl)methylidene]amino] N-(3-chlorophenyl)carbamate
MOLECULAR FORMULA: C14H10ClN5O3
MOLECULAR WEIGHT: 331.7139
SMILES: C1=CC(=CC(=C1)Cl)NC(=O)ON=C(C2=CC3=NON=C3C=C2)N
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Product OPENEYE NAME: 4-nitro-5-pyrrolidin-1-yl-2,1,3-benzothiadiazole
CAS Name: 4-nitro-5-(1-pyrrolidinyl)-2,1,3-benzothiadiazole
IUPAC NAME: 4-nitro-5-pyrrolidin-1-yl-2,1,3-benzothiadiazole
SYSTEMATIC NAME: 4-nitro-5-pyrrolidin-1-yl-2,1,3-benzothiadiazole
MOLECULAR FORMULA: C10H10N4O2S
MOLECULAR WEIGHT: 250.277
SMILES: C1CCN(C1)C2=C(C3=NSN=C3C=C2)[N+](=O)[O-]
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Product OPENEYE NAME: 4-nitro-N-phenyl-2,1,3-benzothiadiazol-5-amine
CAS Name: 4-nitro-N-phenyl-2,1,3-benzothiadiazol-5-amine
IUPAC NAME: 4-nitro-N-phenyl-2,1,3-benzothiadiazol-5-amine
SYSTEMATIC NAME: 4-nitro-N-phenyl-2,1,3-benzothiadiazol-5-amine
MOLECULAR FORMULA: C12H8N4O2S
MOLECULAR WEIGHT: 272.28252
SMILES: C1=CC=C(C=C1)NC2=C(C3=NSN=C3C=C2)[N+](=O)[O-]
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Product OPENEYE NAME: S-[4-(trifluoromethyl)phenyl] 3-[[1-(3,4-dichlorophenyl)ethylideneamino]oxymethyl]benzenecarbothioate
CAS Name: 3-[[1-(3,4-dichlorophenyl)ethylideneamino]oxymethyl]benzenecarbothioic acid S-[4-(trifluoromethyl)phenyl] ester
IUPAC NAME: S-[4-(trifluoromethyl)phenyl] 3-[[1-(3,4-dichlorophenyl)ethylideneamino]oxymethyl]benzenecarbothioate
SYSTEMATIC NAME: S-[4-(trifluoromethyl)phenyl] 3-[[1-(3,4-dichlorophenyl)ethylideneamino]oxymethyl]benzenecarbothioate
MOLECULAR FORMULA: C23H16Cl2F3NO2S
MOLECULAR WEIGHT: 498.34485
SMILES: CC(=NOCC1=CC=CC(=C1)C(=O)SC2=CC=C(C=C2)C(F)(F)F)C3=CC(=C(C=C3)Cl)Cl
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Product OPENEYE NAME: [4-(trifluoromethyl)phenyl] 3-[[1-(3,4-dichlorophenyl)ethylideneamino]oxymethyl]benzoate
CAS Name: 3-[[1-(3,4-dichlorophenyl)ethylideneamino]oxymethyl]benzoic acid [4-(trifluoromethyl)phenyl] ester
IUPAC NAME: [4-(trifluoromethyl)phenyl] 3-[[1-(3,4-dichlorophenyl)ethylideneamino]oxymethyl]benzoate
SYSTEMATIC NAME: [4-(trifluoromethyl)phenyl] 3-[[1-(3,4-dichlorophenyl)ethylideneamino]oxymethyl]benzoate
MOLECULAR FORMULA: C23H16Cl2F3NO3
MOLECULAR WEIGHT: 482.27925
SMILES: CC(=NOCC1=CC=CC(=C1)C(=O)OC2=CC=C(C=C2)C(F)(F)F)C3=CC(=C(C=C3)Cl)Cl
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Product OPENEYE NAME: N-(4-chlorophenyl)-4-nitro-2,1,3-benzothiadiazol-5-amine
CAS Name: N-(4-chlorophenyl)-4-nitro-2,1,3-benzothiadiazol-5-amine
IUPAC NAME: N-(4-chlorophenyl)-4-nitro-2,1,3-benzothiadiazol-5-amine
SYSTEMATIC NAME: N-(4-chlorophenyl)-4-nitro-2,1,3-benzothiadiazol-5-amine
MOLECULAR FORMULA: C12H7ClN4O2S
MOLECULAR WEIGHT: 306.72758
SMILES: C1=CC(=CC=C1NC2=C(C3=NSN=C3C=C2)[N+](=O)[O-])Cl
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Product OPENEYE NAME: 4-nitro-N-[3-(trifluoromethyl)phenyl]-2,1,3-benzothiadiazol-5-amine
CAS Name: 4-nitro-N-[3-(trifluoromethyl)phenyl]-2,1,3-benzothiadiazol-5-amine
IUPAC NAME: 4-nitro-N-[3-(trifluoromethyl)phenyl]-2,1,3-benzothiadiazol-5-amine
SYSTEMATIC NAME: 4-nitro-N-[3-(trifluoromethyl)phenyl]-2,1,3-benzothiadiazol-5-amine
MOLECULAR FORMULA: C13H7F3N4O2S
MOLECULAR WEIGHT: 340.28049
SMILES: C1=CC(=CC(=C1)NC2=C(C3=NSN=C3C=C2)[N+](=O)[O-])C(F)(F)F
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Product OPENEYE NAME: (E)-3-[[methyl-[4-[(5-nitro-2-pyridyl)oxy]phenyl]-oxo-$l^{6}-sulfanylidene]amino]-2-(thiophene-2-carbonyl)prop-2-enenitrile
CAS Name: (E)-3-[[methyl-[4-[(5-nitro-2-pyridinyl)oxy]phenyl]-oxo-$l^{6}-sulfanylidene]amino]-2-[oxo(thiophen-2-yl)methyl]-2-propenenitrile
IUPAC NAME: (E)-3-[[methyl-[4-(5-nitropyridin-2-yl)oxyphenyl]-oxo-$l^{6}-sulfanylidene]amino]-2-(thiophene-2-carbonyl)prop-2-enenitrile
SYSTEMATIC NAME: (E)-3-[[methyl-[4-(5-nitropyridin-2-yl)oxyphenyl]-oxidanylidene-$l^{6}-sulfanylidene]amino]-2-thiophen-2-ylcarbonyl-prop-2-enenitrile
MOLECULAR FORMULA: C20H14N4O5S2
MOLECULAR WEIGHT: 454.47896
SMILES: CS(=N/C=C(\C#N)/C(=O)C1=CC=CS1)(=O)C2=CC=C(C=C2)OC3=NC=C(C=C3)[N+](=O)[O-]
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Product OPENEYE NAME: (E)-2-(furan-2-carbonyl)-3-[[methyl-[4-[(5-nitro-2-pyridyl)oxy]phenyl]-oxo-$l^{6}-sulfanylidene]amino]prop-2-enenitrile
CAS Name: (E)-2-[2-furanyl(oxo)methyl]-3-[[methyl-[4-[(5-nitro-2-pyridinyl)oxy]phenyl]-oxo-$l^{6}-sulfanylidene]amino]-2-propenenitrile
IUPAC NAME: (E)-2-(furan-2-carbonyl)-3-[[methyl-[4-(5-nitropyridin-2-yl)oxyphenyl]-oxo-$l^{6}-sulfanylidene]amino]prop-2-enenitrile
SYSTEMATIC NAME: (E)-2-(furan-2-ylcarbonyl)-3-[[methyl-[4-(5-nitropyridin-2-yl)oxyphenyl]-oxidanylidene-$l^{6}-sulfanylidene]amino]prop-2-enenitrile
MOLECULAR FORMULA: C20H14N4O6S
MOLECULAR WEIGHT: 438.41336
SMILES: CS(=N/C=C(\C#N)/C(=O)C1=CC=CO1)(=O)C2=CC=C(C=C2)OC3=NC=C(C=C3)[N+](=O)[O-]
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Product OPENEYE NAME: (E)-3-[[methyl-[4-[(5-nitro-2-pyridyl)oxy]phenyl]-oxo-$l^{6}-sulfanylidene]amino]-2-[[5-(trifluoromethyl)-2-pyridyl]sulfonyl]prop-2-enenitrile
CAS Name: (E)-3-[[methyl-[4-[(5-nitro-2-pyridinyl)oxy]phenyl]-oxo-$l^{6}-sulfanylidene]amino]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-2-propenenitrile
IUPAC NAME: (E)-3-[[methyl-[4-(5-nitropyridin-2-yl)oxyphenyl]-oxo-$l^{6}-sulfanylidene]amino]-2-[5-(trifluoromethyl)pyridin-2-yl]sulfonylprop-2-enenitrile
SYSTEMATIC NAME: (E)-3-[[methyl-[4-(5-nitropyridin-2-yl)oxyphenyl]-oxidanylidene-$l^{6}-sulfanylidene]amino]-2-[5-(trifluoromethyl)pyridin-2-yl]sulfonyl-prop-2-enenitrile
MOLECULAR FORMULA: C21H14F3N5O6S2
MOLECULAR WEIGHT: 553.49097
SMILES: CS(=N/C=C(\C#N)/S(=O)(=O)C1=NC=C(C=C1)C(F)(F)F)(=O)C2=CC=C(C=C2)OC3=NC=C(C=C3)[N+](=O)[O-]
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Product OPENEYE NAME: [[amino(2,1,3-benzoxadiazol-5-yl)methylene]amino] 4-chlorobenzoate
CAS Name: 4-chlorobenzoic acid [[amino(2,1,3-benzoxadiazol-5-yl)methylidene]amino] ester
IUPAC NAME: [[amino(2,1,3-benzoxadiazol-5-yl)methylidene]amino] 4-chlorobenzoate
SYSTEMATIC NAME: [[azanyl(2,1,3-benzoxadiazol-5-yl)methylidene]amino] 4-chloranylbenzoate
MOLECULAR FORMULA: C14H9ClN4O3
MOLECULAR WEIGHT: 316.69926
SMILES: C1=CC(=CC=C1C(=O)ON=C(C2=CC3=NON=C3C=C2)N)Cl
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Product OPENEYE NAME: [[amino(2,1,3-benzoxadiazol-5-yl)methylene]amino] 2-chlorobenzoate
CAS Name: 2-chlorobenzoic acid [[amino(2,1,3-benzoxadiazol-5-yl)methylidene]amino] ester
IUPAC NAME: [[amino(2,1,3-benzoxadiazol-5-yl)methylidene]amino] 2-chlorobenzoate
SYSTEMATIC NAME: [[azanyl(2,1,3-benzoxadiazol-5-yl)methylidene]amino] 2-chloranylbenzoate
MOLECULAR FORMULA: C14H9ClN4O3
MOLECULAR WEIGHT: 316.69926
SMILES: C1=CC=C(C(=C1)C(=O)ON=C(C2=CC3=NON=C3C=C2)N)Cl
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