Monday, April 30, 2012

http://ChemLookup.com Compounds




CAS RN: 36822-11-4
CAS Name: 6-phenyl-2-sulfanylidene-1H-pyrimidin-4-one
OPENEYE Name: 6-phenyl-2-thioxo-1H-pyrimidin-4-one
IUPAC Name: 6-phenyl-2-sulfanylidene-1H-pyrimidin-4-one
SYSTEMATIC NAME: 6-phenyl-2-sulfanylidene-1H-pyrimidin-4-one
MOLECULAR FORMULA: C10H8N2OS
MOLECULAR WEIGHT: 204.24832
SMILES: C1=CC=C(C=C1)C2=CC(=O)NC(=S)N2
Structure:

CAS RN: 139705-74-1
CAS Name: 4-(2-imidazo[1,2-a]pyridinyl)aniline
OPENEYE Name: 4-imidazo[1,2-a]pyridin-2-ylaniline
IUPAC Name: 4-imidazo[1,2-a]pyridin-2-ylaniline
SYSTEMATIC NAME: 4-imidazo[1,2-a]pyridin-2-ylaniline
MOLECULAR FORMULA: C13H11N3
MOLECULAR WEIGHT: 209.24654
SMILES: C1=CC2=NC(=CN2C=C1)C3=CC=C(C=C3)N
Structure:

CAS RN: 53759-83-4
CAS Name: (5E)-5-[(4-methoxyphenyl)methylidene]imidazolidine-2,4-dione
OPENEYE Name: (5E)-5-[(4-methoxyphenyl)methylene]imidazolidine-2,4-dione
IUPAC Name: (5E)-5-[(4-methoxyphenyl)methylidene]imidazolidine-2,4-dione
SYSTEMATIC NAME: (5E)-5-[(4-methoxyphenyl)methylidene]imidazolidine-2,4-dione
MOLECULAR FORMULA: C11H10N2O3
MOLECULAR WEIGHT: 218.2087
SMILES: COC1=CC=C(C=C1)/C=C/2\C(=O)NC(=O)N2
Structure:

CAS RN: 5349-42-8
CAS Name: (5E)-5-[(4-methoxyphenyl)methylidene]imidazolidine-2,4-dione
OPENEYE Name: (5E)-5-[(4-methoxyphenyl)methylene]imidazolidine-2,4-dione
IUPAC Name: (5E)-5-[(4-methoxyphenyl)methylidene]imidazolidine-2,4-dione
SYSTEMATIC NAME: (5E)-5-[(4-methoxyphenyl)methylidene]imidazolidine-2,4-dione
MOLECULAR FORMULA: C11H10N2O3
MOLECULAR WEIGHT: 218.2087
SMILES: COC1=CC=C(C=C1)/C=C/2\C(=O)NC(=O)N2
Structure:

CAS RN: 175204-21-4
CAS Name: 2,1,3-benzothiadiazole-5-carboxylic acid methyl ester
OPENEYE Name: methyl 2,1,3-benzothiadiazole-5-carboxylate
IUPAC Name: methyl 2,1,3-benzothiadiazole-5-carboxylate
SYSTEMATIC NAME: methyl 2,1,3-benzothiadiazole-5-carboxylate
MOLECULAR FORMULA: C8H6N2O2S
MOLECULAR WEIGHT: 194.21044
SMILES: COC(=O)C1=CC2=NSN=C2C=C1
Structure:

CAS RN: 38942-57-3
CAS Name: 4-cyclohexyl-3-phenyl-1H-1,2,4-triazole-5-thione
OPENEYE Name: 4-cyclohexyl-3-phenyl-1H-1,2,4-triazole-5-thione
IUPAC Name: 4-cyclohexyl-3-phenyl-1H-1,2,4-triazole-5-thione
SYSTEMATIC NAME: 4-cyclohexyl-3-phenyl-1H-1,2,4-triazole-5-thione
MOLECULAR FORMULA: C14H17N3S
MOLECULAR WEIGHT: 259.36988
SMILES: C1CCC(CC1)N2C(=NNC2=S)C3=CC=CC=C3
Structure:

CAS RN: 112193-41-6
CAS Name: 5-bromo-3-pyridinecarbohydrazide
OPENEYE Name: 5-bromopyridine-3-carbohydrazide
IUPAC Name: 5-bromopyridine-3-carbohydrazide
SYSTEMATIC NAME: 5-bromanylpyridine-3-carbohydrazide
MOLECULAR FORMULA: C6H6BrN3O
MOLECULAR WEIGHT: 216.03534
SMILES: C1=C(C=NC=C1Br)C(=O)NN
Structure:

CAS RN: 37014-08-7
CAS Name: (3-methoxyphenyl)thiourea
OPENEYE Name: (3-methoxyphenyl)thiourea
IUPAC Name: (3-methoxyphenyl)thiourea
SYSTEMATIC NAME: 1-(3-methoxyphenyl)thiourea
MOLECULAR FORMULA: C8H10N2OS
MOLECULAR WEIGHT: 182.2428
SMILES: COC1=CC=CC(=C1)NC(=S)N
Structure:

CAS RN: 37247-99-7
CAS Name: (3-methoxyphenyl)thiourea
OPENEYE Name: (3-methoxyphenyl)thiourea
IUPAC Name: (3-methoxyphenyl)thiourea
SYSTEMATIC NAME: 1-(3-methoxyphenyl)thiourea
MOLECULAR FORMULA: C8H10N2OS
MOLECULAR WEIGHT: 182.2428
SMILES: COC1=CC=CC(=C1)NC(=S)N
Structure:

CAS RN: 31330-51-5
CAS Name: (E)-2-cyano-3-thiophen-2-yl-2-propenoic acid ethyl ester
OPENEYE Name: ethyl (E)-2-cyano-3-(2-thienyl)prop-2-enoate
IUPAC Name: ethyl (E)-2-cyano-3-thiophen-2-ylprop-2-enoate
SYSTEMATIC NAME: ethyl (E)-2-cyano-3-thiophen-2-yl-prop-2-enoate
MOLECULAR FORMULA: C10H9NO2S
MOLECULAR WEIGHT: 207.24896
SMILES: CCOC(=O)/C(=C/C1=CC=CS1)/C#N
Structure:

CAS RN: 137438-23-4
CAS Name: (7R)-4-chloro-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine
OPENEYE Name: (7R)-4-chloro-7-methyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidine
IUPAC Name: (7R)-4-chloro-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine
SYSTEMATIC NAME: (7R)-4-chloranyl-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine
MOLECULAR FORMULA: C11H11ClN2S
MOLECULAR WEIGHT: 238.73644
SMILES: C[C@@H]1CCC2=C(C1)SC3=C2C(=NC=N3)Cl
Structure:

CAS RN: 101622-73-5
CAS Name: N-(1,3-benzothiazol-2-yl)-2-hydroxybenzamide
OPENEYE Name: N-(1,3-benzothiazol-2-yl)-2-hydroxy-benzamide
IUPAC Name: N-(1,3-benzothiazol-2-yl)-2-hydroxybenzamide
SYSTEMATIC NAME: N-(1,3-benzothiazol-2-yl)-2-oxidanyl-benzamide
MOLECULAR FORMULA: C14H10N2O2S
MOLECULAR WEIGHT: 270.3064
SMILES: C1=CC=C(C(=C1)C(=O)NC2=NC3=CC=CC=C3S2)O
Structure:

CAS RN: 137438-23-4
CAS Name: (7S)-4-chloro-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine
OPENEYE Name: (7S)-4-chloro-7-methyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidine
IUPAC Name: (7S)-4-chloro-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine
SYSTEMATIC NAME: (7S)-4-chloranyl-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine
MOLECULAR FORMULA: C11H11ClN2S
MOLECULAR WEIGHT: 238.73644
SMILES: C[C@H]1CCC2=C(C1)SC3=C2C(=NC=N3)Cl
Structure:

CAS RN: 168837-18-1
CAS Name: 6-chloro-2-phenylimidazo[1,2-a]pyridine
OPENEYE Name: 6-chloro-2-phenyl-imidazo[1,2-a]pyridine
IUPAC Name: 6-chloro-2-phenylimidazo[1,2-a]pyridine
SYSTEMATIC NAME: 6-chloranyl-2-phenyl-imidazo[1,2-a]pyridine
MOLECULAR FORMULA: C13H9ClN2
MOLECULAR WEIGHT: 228.67696
SMILES: C1=CC=C(C=C1)C2=CN3C=C(C=CC3=N2)Cl
Structure:

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