Wednesday, November 28, 2012

All Chemical Compounds Information




Product OPENEYE NAME: N-phenyl-5-(2-phenylethynyl)pyridine-3-carboxamide
CAS Name: N-phenyl-5-(2-phenylethynyl)-3-pyridinecarboxamide
IUPAC NAME: N-phenyl-5-(2-phenylethynyl)pyridine-3-carboxamide
SYSTEMATIC NAME: N-phenyl-5-(2-phenylethynyl)pyridine-3-carboxamide
MOLECULAR FORMULA: C20H14N2O
MOLECULAR WEIGHT: 298.33796
SMILES: C1=CC=C(C=C1)C#CC2=CC(=CN=C2)C(=O)NC3=CC=CC=C3
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Product OPENEYE NAME: N-(2-methoxyphenyl)-5-(2-phenylethynyl)pyridine-3-carboxamide
CAS Name: N-(2-methoxyphenyl)-5-(2-phenylethynyl)-3-pyridinecarboxamide
IUPAC NAME: N-(2-methoxyphenyl)-5-(2-phenylethynyl)pyridine-3-carboxamide
SYSTEMATIC NAME: N-(2-methoxyphenyl)-5-(2-phenylethynyl)pyridine-3-carboxamide
MOLECULAR FORMULA: C21H16N2O2
MOLECULAR WEIGHT: 328.36394
SMILES: COC1=CC=CC=C1NC(=O)C2=CN=CC(=C2)C#CC3=CC=CC=C3
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Product OPENEYE NAME: 1-(4-chlorophenyl)-3-[[2-[3-oxo-6-(trifluoromethyl)-1,4-benzothiazin-4-yl]acetyl]amino]urea
CAS Name: 1-(4-chlorophenyl)-3-[[1-oxo-2-[3-oxo-6-(trifluoromethyl)-1,4-benzothiazin-4-yl]ethyl]amino]urea
IUPAC NAME: 1-(4-chlorophenyl)-3-[[2-[3-oxo-6-(trifluoromethyl)-1,4-benzothiazin-4-yl]acetyl]amino]urea
SYSTEMATIC NAME: 1-(4-chlorophenyl)-3-[2-[3-oxidanylidene-6-(trifluoromethyl)-1,4-benzothiazin-4-yl]ethanoylamino]urea
MOLECULAR FORMULA: C18H14ClF3N4O3S
MOLECULAR WEIGHT: 458.84197
SMILES: C1C(=O)N(C2=C(S1)C=CC(=C2)C(F)(F)F)CC(=O)NNC(=O)NC3=CC=C(C=C3)Cl
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Product OPENEYE NAME: 1-[[2-[3-oxo-6-(trifluoromethyl)-1,4-benzothiazin-4-yl]acetyl]amino]-3-[4-(trifluoromethoxy)phenyl]urea
CAS Name: 1-[[1-oxo-2-[3-oxo-6-(trifluoromethyl)-1,4-benzothiazin-4-yl]ethyl]amino]-3-[4-(trifluoromethoxy)phenyl]urea
IUPAC NAME: 1-[[2-[3-oxo-6-(trifluoromethyl)-1,4-benzothiazin-4-yl]acetyl]amino]-3-[4-(trifluoromethoxy)phenyl]urea
SYSTEMATIC NAME: 1-[2-[3-oxidanylidene-6-(trifluoromethyl)-1,4-benzothiazin-4-yl]ethanoylamino]-3-[4-(trifluoromethyloxy)phenyl]urea
MOLECULAR FORMULA: C19H14F6N4O4S
MOLECULAR WEIGHT: 508.394279
SMILES: C1C(=O)N(C2=C(S1)C=CC(=C2)C(F)(F)F)CC(=O)NNC(=O)NC3=CC=C(C=C3)OC(F)(F)F
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Product OPENEYE NAME: 3-(5-ethoxycarbonyl-3-pyridyl)prop-2-ynyl 5-methyl-3-phenyl-isoxazole-4-carboxylate
CAS Name: 5-methyl-3-phenyl-4-isoxazolecarboxylic acid 3-(5-ethoxycarbonyl-3-pyridinyl)prop-2-ynyl ester
IUPAC NAME: 3-(5-ethoxycarbonylpyridin-3-yl)prop-2-ynyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
SYSTEMATIC NAME: 3-(5-ethoxycarbonylpyridin-3-yl)prop-2-ynyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
MOLECULAR FORMULA: C22H18N2O5
MOLECULAR WEIGHT: 390.38872
SMILES: CCOC(=O)C1=CN=CC(=C1)C#CCOC(=O)C2=C(ON=C2C3=CC=CC=C3)C
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Product OPENEYE NAME: 3-(5-ethoxycarbonyl-3-pyridyl)prop-2-ynyl 5-chloropyridine-2-carboxylate
CAS Name: 5-chloro-2-pyridinecarboxylic acid 3-(5-ethoxycarbonyl-3-pyridinyl)prop-2-ynyl ester
IUPAC NAME: 3-(5-ethoxycarbonylpyridin-3-yl)prop-2-ynyl 5-chloropyridine-2-carboxylate
SYSTEMATIC NAME: 3-(5-ethoxycarbonylpyridin-3-yl)prop-2-ynyl 5-chloranylpyridine-2-carboxylate
MOLECULAR FORMULA: C17H13ClN2O4
MOLECULAR WEIGHT: 344.74912
SMILES: CCOC(=O)C1=CN=CC(=C1)C#CCOC(=O)C2=NC=C(C=C2)Cl
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Product OPENEYE NAME: (4-chlorophenyl) 5-(2-phenylethynyl)pyridine-3-carboxylate
CAS Name: 5-(2-phenylethynyl)-3-pyridinecarboxylic acid (4-chlorophenyl) ester
IUPAC NAME: (4-chlorophenyl) 5-(2-phenylethynyl)pyridine-3-carboxylate
SYSTEMATIC NAME: (4-chlorophenyl) 5-(2-phenylethynyl)pyridine-3-carboxylate
MOLECULAR FORMULA: C20H12ClNO2
MOLECULAR WEIGHT: 333.76778
SMILES: C1=CC=C(C=C1)C#CC2=CC(=CN=C2)C(=O)OC3=CC=C(C=C3)Cl
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Product OPENEYE NAME: phenyl 5-(2-phenylethynyl)pyridine-3-carboxylate
CAS Name: 5-(2-phenylethynyl)-3-pyridinecarboxylic acid phenyl ester
IUPAC NAME: phenyl 5-(2-phenylethynyl)pyridine-3-carboxylate
SYSTEMATIC NAME: phenyl 5-(2-phenylethynyl)pyridine-3-carboxylate
MOLECULAR FORMULA: C20H13NO2
MOLECULAR WEIGHT: 299.32272
SMILES: C1=CC=C(C=C1)C#CC2=CC(=CN=C2)C(=O)OC3=CC=CC=C3
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Product OPENEYE NAME: [3-(trifluoromethyl)phenyl] 5-(2-phenylethynyl)pyridine-3-carboxylate
CAS Name: 5-(2-phenylethynyl)-3-pyridinecarboxylic acid [3-(trifluoromethyl)phenyl] ester
IUPAC NAME: [3-(trifluoromethyl)phenyl] 5-(2-phenylethynyl)pyridine-3-carboxylate
SYSTEMATIC NAME: [3-(trifluoromethyl)phenyl] 5-(2-phenylethynyl)pyridine-3-carboxylate
MOLECULAR FORMULA: C21H12F3NO2
MOLECULAR WEIGHT: 367.32069
SMILES: C1=CC=C(C=C1)C#CC2=CC(=CN=C2)C(=O)OC3=CC=CC(=C3)C(F)(F)F
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Product OPENEYE NAME: (4-methoxyphenyl) 5-(2-phenylethynyl)pyridine-3-carboxylate
CAS Name: 5-(2-phenylethynyl)-3-pyridinecarboxylic acid (4-methoxyphenyl) ester
IUPAC NAME: (4-methoxyphenyl) 5-(2-phenylethynyl)pyridine-3-carboxylate
SYSTEMATIC NAME: (4-methoxyphenyl) 5-(2-phenylethynyl)pyridine-3-carboxylate
MOLECULAR FORMULA: C21H15NO3
MOLECULAR WEIGHT: 329.3487
SMILES: COC1=CC=C(C=C1)OC(=O)C2=CN=CC(=C2)C#CC3=CC=CC=C3
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Product OPENEYE NAME: 4-[(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methyl]-6-(trifluoromethyl)-1,4-benzothiazin-3-one
CAS Name: 4-[[4-methyl-5-(phenylmethylthio)-1,2,4-triazol-3-yl]methyl]-6-(trifluoromethyl)-1,4-benzothiazin-3-one
IUPAC NAME: 4-[(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methyl]-6-(trifluoromethyl)-1,4-benzothiazin-3-one
SYSTEMATIC NAME: 4-[[4-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-6-(trifluoromethyl)-1,4-benzothiazin-3-one
MOLECULAR FORMULA: C20H17F3N4OS2
MOLECULAR WEIGHT: 450.50039
SMILES: CN1C(=NN=C1SCC2=CC=CC=C2)CN3C(=O)CSC4=C3C=C(C=C4)C(F)(F)F
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Product OPENEYE NAME: 4-[[5-[(4-chlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methyl]-6-(trifluoromethyl)-1,4-benzothiazin-3-one
CAS Name: 4-[[5-[(4-chlorophenyl)methylthio]-4-methyl-1,2,4-triazol-3-yl]methyl]-6-(trifluoromethyl)-1,4-benzothiazin-3-one
IUPAC NAME: 4-[[5-[(4-chlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methyl]-6-(trifluoromethyl)-1,4-benzothiazin-3-one
SYSTEMATIC NAME: 4-[[5-[(4-chlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methyl]-6-(trifluoromethyl)-1,4-benzothiazin-3-one
MOLECULAR FORMULA: C20H16ClF3N4OS2
MOLECULAR WEIGHT: 484.94545
SMILES: CN1C(=NN=C1SCC2=CC=C(C=C2)Cl)CN3C(=O)CSC4=C3C=C(C=C4)C(F)(F)F
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Product OPENEYE NAME: 4-[(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]-6-(trifluoromethyl)-1,4-benzothiazin-3-one
CAS Name: 4-[[4-methyl-5-(methylthio)-1,2,4-triazol-3-yl]methyl]-6-(trifluoromethyl)-1,4-benzothiazin-3-one
IUPAC NAME: 4-[(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]-6-(trifluoromethyl)-1,4-benzothiazin-3-one
SYSTEMATIC NAME: 4-[(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]-6-(trifluoromethyl)-1,4-benzothiazin-3-one
MOLECULAR FORMULA: C14H13F3N4OS2
MOLECULAR WEIGHT: 374.40443
SMILES: CN1C(=NN=C1SC)CN2C(=O)CSC3=C2C=C(C=C3)C(F)(F)F
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