CAS RN: 37540-59-3
CAS Name: 5-bromo-2-hydroxybenzoic acid ethyl ester
OPENEYE Name: ethyl 5-bromo-2-hydroxy-benzoate
IUPAC Name: ethyl 5-bromo-2-hydroxybenzoate
SYSTEMATIC NAME: ethyl 5-bromanyl-2-oxidanyl-benzoate
MOLECULAR FORMULA: C9H9BrO3
MOLECULAR WEIGHT: 245.06996
SMILES: CCOC(=O)C1=C(C=CC(=C1)Br)O
Structure:
CAS RN: 845264-90-6
CAS Name: 2-(3,4-dihydro-2H-quinolin-1-yl)acetic acid
OPENEYE Name: 2-(3,4-dihydro-2H-quinolin-1-yl)acetic acid
IUPAC Name: 2-(3,4-dihydro-2H-quinolin-1-yl)acetic acid
SYSTEMATIC NAME: 2-(3,4-dihydro-2H-quinolin-1-yl)ethanoic acid
MOLECULAR FORMULA: C11H13NO2
MOLECULAR WEIGHT: 191.22642
SMILES: C1CC2=CC=CC=C2N(C1)CC(=O)O
Structure:
CAS RN: 34830-11-0
CAS Name: europium; 4,7,7-trimethyl-2-(2,2,2-trifluoro-1-hydroxyethylidene)-3-bicyclo[2.2.1]heptanone
OPENEYE Name: europium; 1,7,7-trimethyl-3-(2,2,2-trifluoro-1-hydroxy-ethylidene)norbornan-2-one
IUPAC Name: europium; 4,7,7-trimethyl-2-(2,2,2-trifluoro-1-hydroxyethylidene)bicyclo[2.2.1]heptan-3-one
SYSTEMATIC NAME: europium; 4,7,7-trimethyl-2-[2,2,2-tris(fluoranyl)-1-oxidanyl-ethylidene]bicyclo[2.2.1]heptan-3-one
MOLECULAR FORMULA: C36H45EuF9O6
MOLECULAR WEIGHT: 896.688529
SMILES: CC1(C2CCC1(C(=O)C2=C(C(F)(F)F)O)C)C.CC1(C2CCC1(C(=O)C2=C(C(F)(F)F)O)C)C.CC1(C2CCC1(C(=O)C2=C(C(F)(F)F)O)C)C.[Eu]
Structure:
CAS RN: 6638-25-1
CAS Name: acetic acid (9-mercapto-10,13-dimethyl-11,17-dioxo-1,2,7,8,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-yl) ester
OPENEYE Name: (10,13-dimethyl-11,17-dioxo-9-sulfanyl-1,2,7,8,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-yl) acetate
IUPAC Name: (10,13-dimethyl-11,17-dioxo-9-sulfanyl-1,2,7,8,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-yl) acetate
SYSTEMATIC NAME: [10,13-dimethyl-11,17-bis(oxidanylidene)-9-sulfanyl-1,2,7,8,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-yl] ethanoate
MOLECULAR FORMULA: C21H26O4S
MOLECULAR WEIGHT: 374.49374
SMILES: CC(=O)OC1=CC2=CCC3C4CCC(=O)C4(CC(=O)C3(C2(CC1)C)S)C
Structure:
CAS RN: 5702-09-0
CAS Name: 5-carbamoyl-4-methyl-2-[[oxo-(2-phenyl-4-quinolinyl)methyl]amino]-3-thiophenecarboxylic acid ethyl ester
OPENEYE Name: ethyl 5-carbamoyl-4-methyl-2-[(2-phenylquinoline-4-carbonyl)amino]thiophene-3-carboxylate
IUPAC Name: ethyl 5-carbamoyl-4-methyl-2-[(2-phenylquinoline-4-carbonyl)amino]thiophene-3-carboxylate
SYSTEMATIC NAME: ethyl 5-aminocarbonyl-4-methyl-2-[(2-phenylquinolin-4-yl)carbonylamino]thiophene-3-carboxylate
MOLECULAR FORMULA: C25H21N3O4S
MOLECULAR WEIGHT: 459.51694
SMILES: CCOC(=O)C1=C(SC(=C1C)C(=O)N)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4
Structure:
CAS RN: 2827-18-1
CAS Name: 1-ethyl-3-(4-methylphenyl)thiourea
OPENEYE Name: 1-ethyl-3-(p-tolyl)thiourea
IUPAC Name: 1-ethyl-3-(4-methylphenyl)thiourea
SYSTEMATIC NAME: 1-ethyl-3-(4-methylphenyl)thiourea
MOLECULAR FORMULA: C10H14N2S
MOLECULAR WEIGHT: 194.29656
SMILES: CCNC(=S)NC1=CC=C(C=C1)C
Structure:
CAS RN: 20363-85-3
CAS Name: bis(1-diazonio-2-ethoxy-2-oxidoethenyl)mercury
OPENEYE Name: bis(1-diazonio-2-ethoxy-2-oxido-vinyl)mercury
IUPAC Name: bis(1-diazonio-2-ethoxy-2-oxidoethenyl)mercury
SYSTEMATIC NAME: bis(1-diazonio-2-ethoxy-2-oxidanidyl-ethenyl)mercury
MOLECULAR FORMULA: C8H10HgN4O4
MOLECULAR WEIGHT: 426.7794
SMILES: CCOC(=C([N+]#N)[Hg]C(=C([O-])OCC)[N+]#N)[O-]
Structure:
CAS RN: 83003-12-7
CAS Name: 2-[5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]-5-(2-methyloctan-2-yl)phenol
OPENEYE Name: 5-(1,1-dimethylheptyl)-2-[5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]phenol
IUPAC Name: 2-[5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]-5-(2-methyloctan-2-yl)phenol
SYSTEMATIC NAME: 5-(2-methyloctan-2-yl)-2-[5-oxidanyl-2-(3-oxidanylpropyl)cyclohexyl]phenol
MOLECULAR FORMULA: C24H40O3
MOLECULAR WEIGHT: 376.5726
SMILES: CCCCCCC(C)(C)C1=CC(=C(C=C1)C2CC(CCC2CCCO)O)O
Structure:
CAS RN: 70421-80-6
CAS Name: 3,5-dimethyl-4-(4-nitrophenyl)azo-1-pyrazolecarbothioamide
OPENEYE Name: 3,5-dimethyl-4-(4-nitrophenyl)azo-pyrazole-1-carbothioamide
IUPAC Name: 3,5-dimethyl-4-[(4-nitrophenyl)diazenyl]pyrazole-1-carbothioamide
SYSTEMATIC NAME: 3,5-dimethyl-4-[(4-nitrophenyl)diazenyl]pyrazole-1-carbothioamide
MOLECULAR FORMULA: C12H12N6O2S
MOLECULAR WEIGHT: 304.32768
SMILES: CC1=C(C(=NN1C(=S)N)C)N=NC2=CC=C(C=C2)[N+](=O)[O-]
Structure:
CAS RN: 76609-53-5
CAS Name: 1-[(3-methyl-4-phenyl-2-pyridinyl)methylideneamino]-3-phenylthiourea
OPENEYE Name: 1-[(3-methyl-4-phenyl-2-pyridyl)methyleneamino]-3-phenyl-thiourea
IUPAC Name: 1-[(3-methyl-4-phenylpyridin-2-yl)methylideneamino]-3-phenylthiourea
SYSTEMATIC NAME: 1-[(3-methyl-4-phenyl-pyridin-2-yl)methylideneamino]-3-phenyl-thiourea
MOLECULAR FORMULA: C20H18N4S
MOLECULAR WEIGHT: 346.44872
SMILES: CC1=C(C=CN=C1C=NNC(=S)NC2=CC=CC=C2)C3=CC=CC=C3
Structure:
CAS RN: 53202-98-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C38H60O9
MOLECULAR WEIGHT: 660.8776
SMILES: CCCCCCCCCCCCCCCC(=O)OC1C(C2(C(C=C(CC3(C2C=C(C3=O)C)O)CO)C4C1(C4(C)CO)OC(=O)C)O)C
Structure:
CAS RN: 6191-08-8
CAS Name: 6-methoxy-1H-quinazoline-2,4-dithione
OPENEYE Name: 6-methoxy-1H-quinazoline-2,4-dithione
IUPAC Name: 6-methoxy-1H-quinazoline-2,4-dithione
SYSTEMATIC NAME: 6-methoxy-1H-quinazoline-2,4-dithione
MOLECULAR FORMULA: C9H8N2OS2
MOLECULAR WEIGHT: 224.30262
SMILES: COC1=CC2=C(C=C1)NC(=S)NC2=S
Structure:
CAS RN: 39232-32-1
CAS Name: 8-(2-nitrophenyl)-7H-purine-2,6-diamine
OPENEYE Name: 8-(2-nitrophenyl)-7H-purine-2,6-diamine
IUPAC Name: 8-(2-nitrophenyl)-7H-purine-2,6-diamine
SYSTEMATIC NAME: 8-(2-nitrophenyl)-7H-purine-2,6-diamine
MOLECULAR FORMULA: C11H9N7O2
MOLECULAR WEIGHT: 271.23486
SMILES: C1=CC=C(C(=C1)C2=NC3=C(N2)C(=NC(=N3)N)N)[N+](=O)[O-]
Structure:
CAS RN: 135-53-5
CAS Name: sodium 6,7-dihydroxy-2-naphthalenesulfonate
OPENEYE Name: sodium 6,7-dihydroxynaphthalene-2-sulfonate
IUPAC Name: sodium 6,7-dihydroxynaphthalene-2-sulfonate
SYSTEMATIC NAME: sodium 6,7-bis(oxidanyl)naphthalene-2-sulfonate
MOLECULAR FORMULA: C10H7NaO5S
MOLECULAR WEIGHT: 262.21435
SMILES: C1=CC(=CC2=CC(=C(C=C21)O)O)S(=O)(=O)[O-].[Na+]
Structure:
CAS RN: 69243-65-8
CAS Name: N-(3,4-dichlorophenyl)carbamodithioic acid propan-2-yl ester
OPENEYE Name: isopropyl N-(3,4-dichlorophenyl)carbamodithioate
IUPAC Name: propan-2-yl N-(3,4-dichlorophenyl)carbamodithioate
SYSTEMATIC NAME: propan-2-yl N-(3,4-dichlorophenyl)carbamodithioate
MOLECULAR FORMULA: C10H11Cl2NS2
MOLECULAR WEIGHT: 280.23704
SMILES: CC(C)SC(=S)NC1=CC(=C(C=C1)Cl)Cl
Structure:
CAS RN: 20331-13-9
CAS Name: 3-chloro-N-(4-propan-2-ylphenyl)propanamide
OPENEYE Name: 3-chloro-N-(4-isopropylphenyl)propanamide
IUPAC Name: 3-chloro-N-(4-propan-2-ylphenyl)propanamide
SYSTEMATIC NAME: 3-chloranyl-N-(4-propan-2-ylphenyl)propanamide
MOLECULAR FORMULA: C12H16ClNO
MOLECULAR WEIGHT: 225.71454
SMILES: CC(C)C1=CC=C(C=C1)NC(=O)CCCl
Structure:
CAS RN: 43142-76-3
CAS Name: 5-chloro-3-formyl-1H-indole-2-carboxylic acid ethyl ester
OPENEYE Name: ethyl 5-chloro-3-formyl-1H-indole-2-carboxylate
IUPAC Name: ethyl 5-chloro-3-formyl-1H-indole-2-carboxylate
SYSTEMATIC NAME: ethyl 5-chloranyl-3-methanoyl-1H-indole-2-carboxylate
MOLECULAR FORMULA: C12H10ClNO3
MOLECULAR WEIGHT: 251.6657
SMILES: CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)Cl)C=O
Structure:
CAS RN: 58554-32-8
CAS Name: N-[[[(4-bromophenyl)-sulfanylidenemethyl]amino]-oxomethyl]-1-naphthalenecarboxamide
OPENEYE Name: N-[(4-bromobenzenecarbothioyl)carbamoyl]naphthalene-1-carboxamide
IUPAC Name: N-[(4-bromobenzenecarbothioyl)carbamoyl]naphthalene-1-carboxamide
SYSTEMATIC NAME: N-[(4-bromophenyl)carbothioylcarbamoyl]naphthalene-1-carboxamide
MOLECULAR FORMULA: C19H13BrN2O2S
MOLECULAR WEIGHT: 413.28772
SMILES: C1=CC=C2C(=C1)C=CC=C2C(=O)NC(=O)NC(=S)C3=CC=C(C=C3)Br
Structure:
CAS RN: 73236-30-3
CAS Name: 4,6-bis(sulfanylidene)-1,2-dihydropyrazolo[3,4-d]pyrimidine-3-carbonitrile
OPENEYE Name: 4,6-dithioxo-1,2-dihydropyrazolo[3,4-d]pyrimidine-3-carbonitrile
IUPAC Name: 4,6-bis(sulfanylidene)-1,2-dihydropyrazolo[3,4-d]pyrimidine-3-carbonitrile
SYSTEMATIC NAME: 4,6-bis(sulfanylidene)-1,2-dihydropyrazolo[3,4-d]pyrimidine-3-carbonitrile
MOLECULAR FORMULA: C6H3N5S2
MOLECULAR WEIGHT: 209.25152
SMILES: C(#N)C1=C2C(=NC(=S)NC2=S)NN1
Structure:
CAS RN: 162046-50-6
CAS Name: N-[(2-aminophenyl)methyl]carbamic acid tert-butyl ester
OPENEYE Name: tert-butyl N-[(2-aminophenyl)methyl]carbamate
IUPAC Name: tert-butyl N-[(2-aminophenyl)methyl]carbamate
SYSTEMATIC NAME: tert-butyl N-[(2-aminophenyl)methyl]carbamate
MOLECULAR FORMULA: C12H18N2O2
MOLECULAR WEIGHT: 222.28352
SMILES: CC(C)(C)OC(=O)NCC1=CC=CC=C1N
Structure:
CAS RN: 57278-36-1
CAS Name: 1-(3-phenoxypropyl)-5-phenyl-4-sulfanylidene-2-pyrimidinone
OPENEYE Name: 1-(3-phenoxypropyl)-5-phenyl-4-thioxo-pyrimidin-2-one
IUPAC Name: 1-(3-phenoxypropyl)-5-phenyl-4-sulfanylidenepyrimidin-2-one
SYSTEMATIC NAME: 1-(3-phenoxypropyl)-5-phenyl-4-sulfanylidene-pyrimidin-2-one
MOLECULAR FORMULA: C19H18N2O2S
MOLECULAR WEIGHT: 338.42342
SMILES: C1=CC=C(C=C1)C2=CN(C(=O)NC2=S)CCCOC3=CC=CC=C3
Structure:
CAS RN: 15093-39-7
CAS Name: 1-(2,2-dimethylpropyl)-3-phenylthiourea
OPENEYE Name: 1-(2,2-dimethylpropyl)-3-phenyl-thiourea
IUPAC Name: 1-(2,2-dimethylpropyl)-3-phenylthiourea
SYSTEMATIC NAME: 1-(2,2-dimethylpropyl)-3-phenyl-thiourea
MOLECULAR FORMULA: C12H18N2S
MOLECULAR WEIGHT: 222.34972
SMILES: CC(C)(C)CNC(=S)NC1=CC=CC=C1
Structure:
CAS RN: 4855-40-7
CAS Name: 1-(4-bromophenyl)-2-[(4-sulfanylidene-5,6-dihydroimidazo[4,5-d]pyridazin-7-yl)thio]ethanone
OPENEYE Name: 1-(4-bromophenyl)-2-[(4-thioxo-5,6-dihydroimidazo[4,5-d]pyridazin-7-yl)sulfanyl]ethanone
IUPAC Name: 1-(4-bromophenyl)-2-[(4-sulfanylidene-5,6-dihydroimidazo[4,5-d]pyridazin-7-yl)sulfanyl]ethanone
SYSTEMATIC NAME: 1-(4-bromophenyl)-2-[(4-sulfanylidene-5,6-dihydroimidazo[4,5-d]pyridazin-7-yl)sulfanyl]ethanone
MOLECULAR FORMULA: C13H9BrN4OS2
MOLECULAR WEIGHT: 381.27076
SMILES: C1=CC(=CC=C1C(=O)CSC2=C3C(=NC=N3)C(=S)NN2)Br
Structure:
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