CAS RN: 147008-20-6
CAS Name: 5-(4-bromophenyl)-3-dithiolethione
OPENEYE Name: 5-(4-bromophenyl)dithiole-3-thione
IUPAC Name: 5-(4-bromophenyl)dithiole-3-thione
SYSTEMATIC NAME: 5-(4-bromophenyl)-1,2-dithiole-3-thione
MOLECULAR FORMULA: C9H5BrS3
MOLECULAR WEIGHT: 289.235
SMILES: C1=CC(=CC=C1C2=CC(=S)SS2)Br
Structure:
CAS RN: 408352-58-9
CAS Name: 2,6-dibromo-4-pyridinecarbonitrile
OPENEYE Name: 2,6-dibromopyridine-4-carbonitrile
IUPAC Name: 2,6-dibromopyridine-4-carbonitrile
SYSTEMATIC NAME: 2,6-bis(bromanyl)pyridine-4-carbonitrile
MOLECULAR FORMULA: C6H2Br2N2
MOLECULAR WEIGHT: 261.90148
SMILES: C1=C(C=C(N=C1Br)Br)C#N
Structure:
CAS RN: 38940-62-4
CAS Name: 1-(5-bromo-3-pyridinyl)ethanone
OPENEYE Name: 1-(5-bromo-3-pyridyl)ethanone
IUPAC Name: 1-(5-bromopyridin-3-yl)ethanone
SYSTEMATIC NAME: 1-(5-bromanylpyridin-3-yl)ethanone
MOLECULAR FORMULA: C7H6BrNO
MOLECULAR WEIGHT: 200.03264
SMILES: CC(=O)C1=CC(=CN=C1)Br
Structure:
CAS RN: 39252-02-3
CAS Name: 1-(5-bromo-3-pyridinyl)ethanone
OPENEYE Name: 1-(5-bromo-3-pyridyl)ethanone
IUPAC Name: 1-(5-bromopyridin-3-yl)ethanone
SYSTEMATIC NAME: 1-(5-bromanylpyridin-3-yl)ethanone
MOLECULAR FORMULA: C7H6BrNO
MOLECULAR WEIGHT: 200.03264
SMILES: CC(=O)C1=CC(=CN=C1)Br
Structure:
CAS RN: 233770-01-9
CAS Name: 3-bromo-5-iodopyridine
OPENEYE Name: 3-bromo-5-iodo-pyridine
IUPAC Name: 3-bromo-5-iodopyridine
SYSTEMATIC NAME: 3-bromanyl-5-iodanyl-pyridine
MOLECULAR FORMULA: C5H3BrIN
MOLECULAR WEIGHT: 283.89249
SMILES: C1=C(C=NC=C1I)Br
Structure:
CAS RN: 183802-98-4
CAS Name: 5-bromo-2-chlorophenol
OPENEYE Name: 5-bromo-2-chloro-phenol
IUPAC Name: 5-bromo-2-chlorophenol
SYSTEMATIC NAME: 5-bromanyl-2-chloranyl-phenol
MOLECULAR FORMULA: C6H4BrClO
MOLECULAR WEIGHT: 207.45236
SMILES: C1=CC(=C(C=C1Br)O)Cl
Structure:
CAS RN: 17216-08-9
CAS Name: (2S)-2-acetyl-3,4-dihydro-2H-naphthalen-1-one
OPENEYE Name: (2S)-2-acetyltetralin-1-one
IUPAC Name: (2S)-2-acetyl-3,4-dihydro-2H-naphthalen-1-one
SYSTEMATIC NAME: (2S)-2-ethanoyl-3,4-dihydro-2H-naphthalen-1-one
MOLECULAR FORMULA: C12H12O2
MOLECULAR WEIGHT: 188.22248
SMILES: CC(=O)[C@@H]1CCC2=CC=CC=C2C1=O
Structure:
CAS RN: 16154-72-6
CAS Name: 3-chloro-4-(4-methyl-1-piperazinyl)aniline
OPENEYE Name: 3-chloro-4-(4-methylpiperazin-1-yl)aniline
IUPAC Name: 3-chloro-4-(4-methylpiperazin-1-yl)aniline
SYSTEMATIC NAME: 3-chloranyl-4-(4-methylpiperazin-1-yl)aniline
MOLECULAR FORMULA: C11H16ClN3
MOLECULAR WEIGHT: 225.71784
SMILES: CN1CCN(CC1)C2=C(C=C(C=C2)N)Cl
Structure:
CAS RN: 46460-23-5
CAS Name: (2S)-2-amino-4-phenylbutanoic acid ethyl ester
OPENEYE Name: ethyl (2S)-2-amino-4-phenyl-butanoate
IUPAC Name: ethyl (2S)-2-amino-4-phenylbutanoate
SYSTEMATIC NAME: ethyl (2S)-2-azanyl-4-phenyl-butanoate
MOLECULAR FORMULA: C12H17NO2
MOLECULAR WEIGHT: 207.26888
SMILES: CCOC(=O)[C@H](CCC1=CC=CC=C1)N
Structure:
CAS RN: 2958-46-5
CAS Name: (Z)-2-(4-chlorophenyl)-3-[4-(dimethylamino)phenyl]-2-propenenitrile
OPENEYE Name: (Z)-2-(4-chlorophenyl)-3-[4-(dimethylamino)phenyl]prop-2-enenitrile
IUPAC Name: (Z)-2-(4-chlorophenyl)-3-[4-(dimethylamino)phenyl]prop-2-enenitrile
SYSTEMATIC NAME: (Z)-2-(4-chlorophenyl)-3-[4-(dimethylamino)phenyl]prop-2-enenitrile
MOLECULAR FORMULA: C17H15ClN2
MOLECULAR WEIGHT: 282.7674
SMILES: CN(C)C1=CC=C(C=C1)/C=C(\C#N)/C2=CC=C(C=C2)Cl
Structure:
CAS RN: 2919-67-7
CAS Name: [(Z)-1-iodo-2-methylsulfonylethenyl]benzene
OPENEYE Name: [(Z)-1-iodo-2-methylsulfonyl-vinyl]benzene
IUPAC Name: [(Z)-1-iodo-2-methylsulfonylethenyl]benzene
SYSTEMATIC NAME: [(Z)-1-iodanyl-2-methylsulfonyl-ethenyl]benzene
MOLECULAR FORMULA: C9H9IO2S
MOLECULAR WEIGHT: 308.13603
SMILES: CS(=O)(=O)/C=C(/C1=CC=CC=C1)\I
Structure:
CAS RN: 407-20-5
CAS Name: 3-bromo-5-fluoropyridine
OPENEYE Name: 3-bromo-5-fluoro-pyridine
IUPAC Name: 3-bromo-5-fluoropyridine
SYSTEMATIC NAME: 3-bromanyl-5-fluoranyl-pyridine
MOLECULAR FORMULA: C5H3BrFN
MOLECULAR WEIGHT: 175.986423
SMILES: C1=C(C=NC=C1Br)F
Structure:
CAS RN: 1211594-51-2
CAS Name: 2H-2,7-naphthyridin-1-one
OPENEYE Name: 2H-2,7-naphthyridin-1-one
IUPAC Name: 2H-2,7-naphthyridin-1-one
SYSTEMATIC NAME: 2H-2,7-naphthyridin-1-one
MOLECULAR FORMULA: C8H6N2O
MOLECULAR WEIGHT: 146.14604
SMILES: C1=CNC(=O)C2=C1C=CN=C2
Structure:
CAS RN: 130161-46-5
CAS Name: 2-phenyl-5-pyrimidinecarboxaldehyde
OPENEYE Name: 2-phenylpyrimidine-5-carbaldehyde
IUPAC Name: 2-phenylpyrimidine-5-carbaldehyde
SYSTEMATIC NAME: 2-phenylpyrimidine-5-carbaldehyde
MOLECULAR FORMULA: C11H8N2O
MOLECULAR WEIGHT: 184.19402
SMILES: C1=CC=C(C=C1)C2=NC=C(C=N2)C=O
Structure:
CAS RN: 84006-10-0
CAS Name: 2-(chloromethyl)-4-methoxy-3,5-dimethylpyridine
OPENEYE Name: 2-(chloromethyl)-4-methoxy-3,5-dimethyl-pyridine
IUPAC Name: 2-(chloromethyl)-4-methoxy-3,5-dimethylpyridine
SYSTEMATIC NAME: 2-(chloromethyl)-4-methoxy-3,5-dimethyl-pyridine
MOLECULAR FORMULA: C9H12ClNO
MOLECULAR WEIGHT: 185.65068
SMILES: CC1=CN=C(C(=C1OC)C)CCl
Structure:
CAS RN: 138505-25-6
CAS Name: 5-bromo-2-propan-2-yloxybenzaldehyde
OPENEYE Name: 5-bromo-2-isopropoxy-benzaldehyde
IUPAC Name: 5-bromo-2-propan-2-yloxybenzaldehyde
SYSTEMATIC NAME: 5-bromanyl-2-propan-2-yloxy-benzaldehyde
MOLECULAR FORMULA: C10H11BrO2
MOLECULAR WEIGHT: 243.09714
SMILES: CC(C)OC1=C(C=C(C=C1)Br)C=O
Structure:
CAS RN: 91335-51-2
CAS Name: 2-bromo-4,5-diethoxybenzaldehyde
OPENEYE Name: 2-bromo-4,5-diethoxy-benzaldehyde
IUPAC Name: 2-bromo-4,5-diethoxybenzaldehyde
SYSTEMATIC NAME: 2-bromanyl-4,5-diethoxy-benzaldehyde
MOLECULAR FORMULA: C11H13BrO3
MOLECULAR WEIGHT: 273.12312
SMILES: CCOC1=C(C=C(C(=C1)C=O)Br)OCC
Structure:
CAS RN: 6275-19-0
CAS Name: 1-[(2,6-dichlorophenyl)methyl]-3-indolecarboxaldehyde
OPENEYE Name: 1-[(2,6-dichlorophenyl)methyl]indole-3-carbaldehyde
IUPAC Name: 1-[(2,6-dichlorophenyl)methyl]indole-3-carbaldehyde
SYSTEMATIC NAME: 1-[[2,6-bis(chloranyl)phenyl]methyl]indole-3-carbaldehyde
MOLECULAR FORMULA: C16H11Cl2NO
MOLECULAR WEIGHT: 304.17064
SMILES: C1=CC=C2C(=C1)C(=CN2CC3=C(C=CC=C3Cl)Cl)C=O
Structure:
CAS RN: 192997-23-2
CAS Name: 1-[(4-fluorophenyl)methyl]-3-indolecarboxaldehyde
OPENEYE Name: 1-[(4-fluorophenyl)methyl]indole-3-carbaldehyde
IUPAC Name: 1-[(4-fluorophenyl)methyl]indole-3-carbaldehyde
SYSTEMATIC NAME: 1-[(4-fluorophenyl)methyl]indole-3-carbaldehyde
MOLECULAR FORMULA: C16H12FNO
MOLECULAR WEIGHT: 253.270983
SMILES: C1=CC=C2C(=C1)C(=CN2CC3=CC=C(C=C3)F)C=O
Structure:
CAS RN: 105596-63-2
CAS Name: 2-methoxy-4-pyridinecarboxylic acid
OPENEYE Name: 2-methoxypyridine-4-carboxylic acid
IUPAC Name: 2-methoxypyridine-4-carboxylic acid
SYSTEMATIC NAME: 2-methoxypyridine-4-carboxylic acid
MOLECULAR FORMULA: C7H7NO3
MOLECULAR WEIGHT: 153.13538
SMILES: COC1=NC=CC(=C1)C(=O)O
Structure:
CAS RN: 164513-38-6
CAS Name: 5-bromo-4-methyl-1H-pyridin-2-one
OPENEYE Name: 5-bromo-4-methyl-1H-pyridin-2-one
IUPAC Name: 5-bromo-4-methyl-1H-pyridin-2-one
SYSTEMATIC NAME: 5-bromanyl-4-methyl-1H-pyridin-2-one
MOLECULAR FORMULA: C6H6BrNO
MOLECULAR WEIGHT: 188.02194
SMILES: CC1=CC(=O)NC=C1Br
Structure:
CAS RN: 40134-18-7
CAS Name: 2-chloro-3-pyridinecarboxylic acid methyl ester
OPENEYE Name: methyl 2-chloropyridine-3-carboxylate
IUPAC Name: methyl 2-chloropyridine-3-carboxylate
SYSTEMATIC NAME: methyl 2-chloranylpyridine-3-carboxylate
MOLECULAR FORMULA: C7H6ClNO2
MOLECULAR WEIGHT: 171.58104
SMILES: COC(=O)C1=C(N=CC=C1)Cl
Structure:
CAS RN: 20970-75-6
CAS Name: 3-methyl-2-pyridinecarbonitrile
OPENEYE Name: 3-methylpyridine-2-carbonitrile
IUPAC Name: 3-methylpyridine-2-carbonitrile
SYSTEMATIC NAME: 3-methylpyridine-2-carbonitrile
MOLECULAR FORMULA: C7H6N2
MOLECULAR WEIGHT: 118.13594
SMILES: CC1=C(N=CC=C1)C#N
Structure:
CAS RN: 53914-83-3
CAS Name: (2R)-2-cyclohexyl-2-hydroxyacetic acid
OPENEYE Name: (2R)-2-cyclohexyl-2-hydroxy-acetic acid
IUPAC Name: (2R)-2-cyclohexyl-2-hydroxyacetic acid
SYSTEMATIC NAME: (2R)-2-cyclohexyl-2-oxidanyl-ethanoic acid
MOLECULAR FORMULA: C8H14O3
MOLECULAR WEIGHT: 158.19496
SMILES: C1CCC(CC1)[C@H](C(=O)O)O
Structure:
CAS RN: 61931-67-7
CAS Name: (2S)-2-cyclohexyl-2-hydroxyacetic acid
OPENEYE Name: (2S)-2-cyclohexyl-2-hydroxy-acetic acid
IUPAC Name: (2S)-2-cyclohexyl-2-hydroxyacetic acid
SYSTEMATIC NAME: (2S)-2-cyclohexyl-2-oxidanyl-ethanoic acid
MOLECULAR FORMULA: C8H14O3
MOLECULAR WEIGHT: 158.19496
SMILES: C1CCC(CC1)[C@@H](C(=O)O)O
Structure:
CAS RN: 60933-65-5
CAS Name: (4Z)-2-(2-bromophenyl)-4-(dimethylaminomethylidene)-5-oxazolone
OPENEYE Name: (4Z)-2-(2-bromophenyl)-4-(dimethylaminomethylene)oxazol-5-one
IUPAC Name: (4Z)-2-(2-bromophenyl)-4-(dimethylaminomethylidene)-1,3-oxazol-5-one
SYSTEMATIC NAME: (4Z)-2-(2-bromophenyl)-4-(dimethylaminomethylidene)-1,3-oxazol-5-one
MOLECULAR FORMULA: C12H11BrN2O2
MOLECULAR WEIGHT: 295.13194
SMILES: CN(C)/C=C\1/C(=O)OC(=N1)C2=CC=CC=C2Br
Structure:
CAS RN: 312973-43-6
CAS Name: 2-(3-formyl-1-indolyl)acetamide
OPENEYE Name: 2-(3-formylindol-1-yl)acetamide
IUPAC Name: 2-(3-formylindol-1-yl)acetamide
SYSTEMATIC NAME: 2-(3-methanoylindol-1-yl)ethanamide
MOLECULAR FORMULA: C11H10N2O2
MOLECULAR WEIGHT: 202.2093
SMILES: C1=CC=C2C(=C1)C(=CN2CC(=O)N)C=O
Structure:
CAS RN: 20033-99-2
CAS Name: (6-methoxy-1H-benzimidazol-2-yl)methanol
OPENEYE Name: (6-methoxy-1H-benzimidazol-2-yl)methanol
IUPAC Name: (6-methoxy-1H-benzimidazol-2-yl)methanol
SYSTEMATIC NAME: (6-methoxy-1H-benzimidazol-2-yl)methanol
MOLECULAR FORMULA: C9H10N2O2
MOLECULAR WEIGHT: 178.1879
SMILES: COC1=CC2=C(C=C1)N=C(N2)CO
Structure:
CAS RN: 56559-62-7
CAS Name: 1-methyl-3-indolecarbohydrazide
OPENEYE Name: 1-methylindole-3-carbohydrazide
IUPAC Name: 1-methylindole-3-carbohydrazide
SYSTEMATIC NAME: 1-methylindole-3-carbohydrazide
MOLECULAR FORMULA: C10H11N3O
MOLECULAR WEIGHT: 189.21384
SMILES: CN1C=C(C2=CC=CC=C21)C(=O)NN
Structure:
CAS RN: 41288-96-4
CAS Name: 6-chloro-3-pyridinol
OPENEYE Name: 6-chloropyridin-3-ol
IUPAC Name: 6-chloropyridin-3-ol
SYSTEMATIC NAME: 6-chloranylpyridin-3-ol
MOLECULAR FORMULA: C5H4ClNO
MOLECULAR WEIGHT: 129.54436
SMILES: C1=CC(=NC=C1O)Cl
Structure:
CAS RN: 876-78-8
CAS Name: 8-chloro-1H-cinnoline-4-thione
OPENEYE Name: 8-chloro-1H-cinnoline-4-thione
IUPAC Name: 8-chloro-1H-cinnoline-4-thione
SYSTEMATIC NAME: 8-chloranyl-1H-cinnoline-4-thione
MOLECULAR FORMULA: C8H5ClN2S
MOLECULAR WEIGHT: 196.6567
SMILES: C1=CC2=C(C(=C1)Cl)NN=CC2=S
Structure:
CAS RN: 16738-19-5
CAS Name: (2,5-dimethylphenyl)thiourea
OPENEYE Name: (2,5-dimethylphenyl)thiourea
IUPAC Name: (2,5-dimethylphenyl)thiourea
SYSTEMATIC NAME: 1-(2,5-dimethylphenyl)thiourea
MOLECULAR FORMULA: C9H12N2S
MOLECULAR WEIGHT: 180.26998
SMILES: CC1=CC(=C(C=C1)C)NC(=S)N
Structure:
CAS RN: 290299-51-3
CAS Name: 6-ethyl-5-methyl-2-sulfanylidene-1H-pyridine-3-carbonitrile
OPENEYE Name: 6-ethyl-5-methyl-2-thioxo-1H-pyridine-3-carbonitrile
IUPAC Name: 6-ethyl-5-methyl-2-sulfanylidene-1H-pyridine-3-carbonitrile
SYSTEMATIC NAME: 6-ethyl-5-methyl-2-sulfanylidene-1H-pyridine-3-carbonitrile
MOLECULAR FORMULA: C9H10N2S
MOLECULAR WEIGHT: 178.2541
SMILES: CCC1=C(C=C(C(=S)N1)C#N)C
Structure:
CAS RN: 5305-40-8
CAS Name: 4,6-dichloro-5-pyrimidinecarboxaldehyde
OPENEYE Name: 4,6-dichloropyrimidine-5-carbaldehyde
IUPAC Name: 4,6-dichloropyrimidine-5-carbaldehyde
SYSTEMATIC NAME: 4,6-bis(chloranyl)pyrimidine-5-carbaldehyde
MOLECULAR FORMULA: C5H2Cl2N2O
MOLECULAR WEIGHT: 176.98818
SMILES: C1=NC(=C(C(=N1)Cl)C=O)Cl
Structure:
No comments:
Post a Comment