Sunday, July 29, 2012

All Chemical Compounds Information




Product OPENEYE NAME: (Z)-4-(4-bromophenyl)-1,2-diphenyl-but-2-ene-1,4-dione
CAS Name: (Z)-4-(4-bromophenyl)-1,2-diphenyl-2-butene-1,4-dione
IUPAC NAME: (Z)-4-(4-bromophenyl)-1,2-diphenylbut-2-ene-1,4-dione
SYSTEMATIC NAME: (Z)-4-(4-bromophenyl)-1,2-diphenyl-but-2-ene-1,4-dione
MOLECULAR FORMULA: C22H15BrO2
MOLECULAR WEIGHT: 391.2573
SMILES: C1=CC=C(C=C1)/C(=C/C(=O)C2=CC=C(C=C2)Br)/C(=O)C3=CC=CC=C3
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Product OPENEYE NAME: (Z)-1,2-diphenyl-4-(p-tolyl)but-2-ene-1,4-dione
CAS Name: (Z)-4-(4-methylphenyl)-1,2-diphenyl-2-butene-1,4-dione
IUPAC NAME: (Z)-4-(4-methylphenyl)-1,2-diphenylbut-2-ene-1,4-dione
SYSTEMATIC NAME: (Z)-4-(4-methylphenyl)-1,2-diphenyl-but-2-ene-1,4-dione
MOLECULAR FORMULA: C23H18O2
MOLECULAR WEIGHT: 326.38782
SMILES: CC1=CC=C(C=C1)C(=O)/C=C(/C2=CC=CC=C2)\C(=O)C3=CC=CC=C3
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Product OPENEYE NAME: (6R,7R)-7-(2-hydroxyphenyl)-2-thioxo-3,5,6,7-tetrahydrothiopyrano[2,3-d]thiazole-6-carbonitrile
CAS Name: (6R,7R)-7-(2-hydroxyphenyl)-2-sulfanylidene-3,5,6,7-tetrahydrothiopyrano[2,3-d]thiazole-6-carbonitrile
IUPAC NAME: (6R,7R)-7-(2-hydroxyphenyl)-2-sulfanylidene-3,5,6,7-tetrahydrothiopyrano[2,3-d][1,3]thiazole-6-carbonitrile
SYSTEMATIC NAME: (6R,7R)-7-(2-hydroxyphenyl)-2-sulfanylidene-3,5,6,7-tetrahydrothiopyrano[2,3-d][1,3]thiazole-6-carbonitrile
MOLECULAR FORMULA: C13H10N2OS3
MOLECULAR WEIGHT: 306.4263
SMILES: C1[C@H]([C@@H](C2=C(S1)NC(=S)S2)C3=CC=CC=C3O)C#N
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Product OPENEYE NAME:
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MOLECULAR FORMULA: C13H9NO2S3
MOLECULAR WEIGHT: 307.41106
SMILES: C1[C@@H]2[C@H](C3=CC=CC=C3OC2=O)C4=C(S1)NC(=S)S4
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Product OPENEYE NAME:
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MOLECULAR FORMULA: C20H14N2O3S3
MOLECULAR WEIGHT: 426.53176
SMILES: C1=CC=C(C=C1)N2C(=O)[C@H]3[C@@H](C4=C(NC(=S)S4)S[C@H]3C2=O)C5=CC=CC=C5O
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Product OPENEYE NAME:
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MOLECULAR FORMULA: C14H9NO4S3
MOLECULAR WEIGHT: 351.42056
SMILES: C1=CC=C(C(=C1)[C@H]2[C@H]3[C@H](C(=O)OC3=O)SC4=C2SC(=S)N4)O
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Product OPENEYE NAME: (5R,6R,7R)-7-(2-hydroxyphenyl)-6-(phenylcarbamoyl)-2-thioxo-3,5,6,7-tetrahydrothiopyrano[2,3-d]thiazole-5-carboxylic acid
CAS Name: (5R,6R,7R)-6-[anilino(oxo)methyl]-7-(2-hydroxyphenyl)-2-sulfanylidene-3,5,6,7-tetrahydrothiopyrano[2,3-d]thiazole-5-carboxylic acid
IUPAC NAME: (5R,6R,7R)-7-(2-hydroxyphenyl)-6-(phenylcarbamoyl)-2-sulfanylidene-3,5,6,7-tetrahydrothiopyrano[2,3-d][1,3]thiazole-5-carboxylic acid
SYSTEMATIC NAME: (5R,6R,7R)-7-(2-hydroxyphenyl)-6-(phenylcarbamoyl)-2-sulfanylidene-3,5,6,7-tetrahydrothiopyrano[2,3-d][1,3]thiazole-5-carboxylic acid
MOLECULAR FORMULA: C20H16N2O4S3
MOLECULAR WEIGHT: 444.54704
SMILES: C1=CC=C(C=C1)NC(=O)[C@H]2[C@@H](C3=C(NC(=S)S3)S[C@H]2C(=O)O)C4=CC=CC=C4O
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Product OPENEYE NAME: 1-phenyl-2-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)ethanone
CAS Name: 1-phenyl-2-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)ethanone
IUPAC NAME: 1-phenyl-2-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)ethanone
SYSTEMATIC NAME: 1-phenyl-2-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)ethanone
MOLECULAR FORMULA: C20H18N2O
MOLECULAR WEIGHT: 302.36972
SMILES: C1CC2=C(N(N=C2C1)C3=CC=CC=C3)CC(=O)C4=CC=CC=C4
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Product OPENEYE NAME: (5Z)-5-(5-methylimidazol-4-ylidene)-3-(p-tolyl)-2H-isoxazole
CAS Name: (5Z)-5-(5-methyl-4-imidazolylidene)-3-(4-methylphenyl)-2H-isoxazole
IUPAC NAME: (5Z)-5-(5-methylimidazol-4-ylidene)-3-(4-methylphenyl)-2H-1,2-oxazole
SYSTEMATIC NAME: (5Z)-5-(5-methylimidazol-4-ylidene)-3-(4-methylphenyl)-2H-1,2-oxazole
MOLECULAR FORMULA: C14H13N3O
MOLECULAR WEIGHT: 239.27252
SMILES: CC1=CC=C(C=C1)C2=C/C(=C/3\C(=NC=N3)C)/ON2
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Product OPENEYE NAME: (5Z)-3-(3,4-dimethoxyphenyl)-5-(5-methylimidazol-4-ylidene)-2H-isoxazole
CAS Name: (5Z)-3-(3,4-dimethoxyphenyl)-5-(5-methyl-4-imidazolylidene)-2H-isoxazole
IUPAC NAME: (5Z)-3-(3,4-dimethoxyphenyl)-5-(5-methylimidazol-4-ylidene)-2H-1,2-oxazole
SYSTEMATIC NAME: (5Z)-3-(3,4-dimethoxyphenyl)-5-(5-methylimidazol-4-ylidene)-2H-1,2-oxazole
MOLECULAR FORMULA: C15H15N3O3
MOLECULAR WEIGHT: 285.2979
SMILES: CC\1=NC=N/C1=C\2/C=C(NO2)C3=CC(=C(C=C3)OC)OC
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Product OPENEYE NAME: (5Z)-3-(4-methoxyphenyl)-5-(5-methylimidazol-4-ylidene)-2H-isoxazole
CAS Name: (5Z)-3-(4-methoxyphenyl)-5-(5-methyl-4-imidazolylidene)-2H-isoxazole
IUPAC NAME: (5Z)-3-(4-methoxyphenyl)-5-(5-methylimidazol-4-ylidene)-2H-1,2-oxazole
SYSTEMATIC NAME: (5Z)-3-(4-methoxyphenyl)-5-(5-methylimidazol-4-ylidene)-2H-1,2-oxazole
MOLECULAR FORMULA: C14H13N3O2
MOLECULAR WEIGHT: 255.27192
SMILES: CC\1=NC=N/C1=C\2/C=C(NO2)C3=CC=C(C=C3)OC
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Product OPENEYE NAME: (5Z)-3-benzyl-5-(5-methylimidazol-4-ylidene)-4-phenyl-2H-isoxazole
CAS Name: (5Z)-5-(5-methyl-4-imidazolylidene)-4-phenyl-3-(phenylmethyl)-2H-isoxazole
IUPAC NAME: (5Z)-3-benzyl-5-(5-methylimidazol-4-ylidene)-4-phenyl-2H-1,2-oxazole
SYSTEMATIC NAME: (5Z)-5-(5-methylimidazol-4-ylidene)-4-phenyl-3-(phenylmethyl)-2H-1,2-oxazole
MOLECULAR FORMULA: C20H17N3O
MOLECULAR WEIGHT: 315.36848
SMILES: CC\1=NC=N/C1=C\2/C(=C(NO2)CC3=CC=CC=C3)C4=CC=CC=C4
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Product OPENEYE NAME: (5Z)-5-(5-methylimidazol-4-ylidene)-3-(2-naphthyl)-2H-isoxazole
CAS Name: (5Z)-5-(5-methyl-4-imidazolylidene)-3-(2-naphthalenyl)-2H-isoxazole
IUPAC NAME: (5Z)-5-(5-methylimidazol-4-ylidene)-3-naphthalen-2-yl-2H-1,2-oxazole
SYSTEMATIC NAME: (5Z)-5-(5-methylimidazol-4-ylidene)-3-naphthalen-2-yl-2H-1,2-oxazole
MOLECULAR FORMULA: C17H13N3O
MOLECULAR WEIGHT: 275.30462
SMILES: CC\1=NC=N/C1=C\2/C=C(NO2)C3=CC4=CC=CC=C4C=C3
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Product OPENEYE NAME: (5Z)-5-(5-methylimidazol-4-ylidene)-3,4-diphenyl-2H-isoxazole
CAS Name: (5Z)-5-(5-methyl-4-imidazolylidene)-3,4-diphenyl-2H-isoxazole
IUPAC NAME: (5Z)-5-(5-methylimidazol-4-ylidene)-3,4-diphenyl-2H-1,2-oxazole
SYSTEMATIC NAME: (5Z)-5-(5-methylimidazol-4-ylidene)-3,4-diphenyl-2H-1,2-oxazole
MOLECULAR FORMULA: C19H15N3O
MOLECULAR WEIGHT: 301.3419
SMILES: CC\1=NC=N/C1=C\2/C(=C(NO2)C3=CC=CC=C3)C4=CC=CC=C4
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Product OPENEYE NAME: 2-(2-iodo-1H-indol-3-yl)acetonitrile
CAS Name: 2-(2-iodo-1H-indol-3-yl)acetonitrile
IUPAC NAME: 2-(2-iodo-1H-indol-3-yl)acetonitrile
SYSTEMATIC NAME: 2-(2-iodanyl-1H-indol-3-yl)ethanenitrile
MOLECULAR FORMULA: C10H7IN2
MOLECULAR WEIGHT: 282.08045
SMILES: C1=CC=C2C(=C1)C(=C(N2)I)CC#N
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Product OPENEYE NAME: N-ethyl-N-[(2-iodo-5-methoxy-1H-indol-3-yl)methyl]ethanamine
CAS Name: N-ethyl-N-[(2-iodo-5-methoxy-1H-indol-3-yl)methyl]ethanamine
IUPAC NAME: N-ethyl-N-[(2-iodo-5-methoxy-1H-indol-3-yl)methyl]ethanamine
SYSTEMATIC NAME: N-ethyl-N-[(2-iodanyl-5-methoxy-1H-indol-3-yl)methyl]ethanamine
MOLECULAR FORMULA: C14H19IN2O
MOLECULAR WEIGHT: 358.21793
SMILES: CCN(CC)CC1=C(NC2=C1C=C(C=C2)OC)I
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Product OPENEYE NAME: 2-(2-iodo-5-methoxy-1H-indol-3-yl)acetonitrile
CAS Name: 2-(2-iodo-5-methoxy-1H-indol-3-yl)acetonitrile
IUPAC NAME: 2-(2-iodo-5-methoxy-1H-indol-3-yl)acetonitrile
SYSTEMATIC NAME: 2-(2-iodanyl-5-methoxy-1H-indol-3-yl)ethanenitrile
MOLECULAR FORMULA: C11H9IN2O
MOLECULAR WEIGHT: 312.10643
SMILES: COC1=CC2=C(C=C1)NC(=C2CC#N)I
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Product OPENEYE NAME: 2-(2-iodo-5-methoxy-1H-indol-3-yl)ethanamine
CAS Name: 2-(2-iodo-5-methoxy-1H-indol-3-yl)ethanamine
IUPAC NAME: 2-(2-iodo-5-methoxy-1H-indol-3-yl)ethanamine
SYSTEMATIC NAME: 2-(2-iodanyl-5-methoxy-1H-indol-3-yl)ethanamine
MOLECULAR FORMULA: C11H13IN2O
MOLECULAR WEIGHT: 316.13819
SMILES: COC1=CC2=C(C=C1)NC(=C2CCN)I
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Product OPENEYE NAME: tert-butyl 2-iodo-5-methoxy-indole-1-carboxylate
CAS Name: 2-iodo-5-methoxy-1-indolecarboxylic acid tert-butyl ester
IUPAC NAME: tert-butyl 2-iodo-5-methoxyindole-1-carboxylate
SYSTEMATIC NAME: tert-butyl 2-iodanyl-5-methoxy-indole-1-carboxylate
MOLECULAR FORMULA: C14H16INO3
MOLECULAR WEIGHT: 373.18621
SMILES: CC(C)(C)OC(=O)N1C2=C(C=C(C=C2)OC)C=C1I
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Product OPENEYE NAME: N-ethyl-N-[(2-iodo-1H-indol-3-yl)methyl]ethanamine
CAS Name: N-ethyl-N-[(2-iodo-1H-indol-3-yl)methyl]ethanamine
IUPAC NAME: N-ethyl-N-[(2-iodo-1H-indol-3-yl)methyl]ethanamine
SYSTEMATIC NAME: N-ethyl-N-[(2-iodanyl-1H-indol-3-yl)methyl]ethanamine
MOLECULAR FORMULA: C13H17IN2
MOLECULAR WEIGHT: 328.19195
SMILES: CCN(CC)CC1=C(NC2=CC=CC=C21)I
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