CAS RN: 4616-22-2
CAS Name: 5-[(2-methylphenyl)methoxy]-2-phenyl-3-benzofurancarboxylic acid
OPENEYE Name: 5-(o-tolylmethoxy)-2-phenyl-benzofuran-3-carboxylic acid
IUPAC Name: 5-[(2-methylphenyl)methoxy]-2-phenyl-1-benzofuran-3-carboxylic acid
SYSTEMATIC NAME: 5-[(2-methylphenyl)methoxy]-2-phenyl-1-benzofuran-3-carboxylic acid
MOLECULAR FORMULA: C23H18O4
MOLECULAR WEIGHT: 358.38662
SMILES: CC1=CC=CC=C1COC2=CC3=C(C=C2)OC(=C3C(=O)O)C4=CC=CC=C4
Structure:
CAS RN: 6145-63-7
CAS Name: 2-[(8-methyl-2-oxo-4-phenyl-1-benzopyran-7-yl)oxy]acetic acid tert-butyl ester
OPENEYE Name: tert-butyl 2-(8-methyl-2-oxo-4-phenyl-chromen-7-yl)oxyacetate
IUPAC Name: tert-butyl 2-(8-methyl-2-oxo-4-phenylchromen-7-yl)oxyacetate
SYSTEMATIC NAME: tert-butyl 2-(8-methyl-2-oxidanylidene-4-phenyl-chromen-7-yl)oxyethanoate
MOLECULAR FORMULA: C22H22O5
MOLECULAR WEIGHT: 366.40708
SMILES: CC1=C(C=CC2=C1OC(=O)C=C2C3=CC=CC=C3)OCC(=O)OC(C)(C)C
Structure:
CAS RN: 6337-94-6
CAS Name: N1,N4-diphenylpiperazine-1,4-dicarbothioamide
OPENEYE Name: N1,N4-diphenylpiperazine-1,4-dicarbothioamide
IUPAC Name: 1-N,4-N-diphenylpiperazine-1,4-dicarbothioamide
SYSTEMATIC NAME: N1,N4-diphenylpiperazine-1,4-dicarbothioamide
MOLECULAR FORMULA: C18H20N4S2
MOLECULAR WEIGHT: 356.5082
SMILES: C1CN(CCN1C(=S)NC2=CC=CC=C2)C(=S)NC3=CC=CC=C3
Structure:
CAS RN: 42076-12-0
CAS Name: 2-[[anilino(sulfanylidene)methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester
OPENEYE Name: ethyl 2-(phenylcarbamothioylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate
IUPAC Name: ethyl 2-(phenylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SYSTEMATIC NAME: ethyl 2-(phenylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
MOLECULAR FORMULA: C18H20N2O2S2
MOLECULAR WEIGHT: 360.4936
SMILES: CCOC(=O)C1=C(SC2=C1CCCC2)NC(=S)NC3=CC=CC=C3
Structure:
CAS RN: 5310-66-7
CAS Name: 6-methoxy-2,2,4-trimethyl-1-(4-methylphenyl)sulfonylquinoline
OPENEYE Name: 6-methoxy-2,2,4-trimethyl-1-(p-tolylsulfonyl)quinoline
IUPAC Name: 6-methoxy-2,2,4-trimethyl-1-(4-methylphenyl)sulfonylquinoline
SYSTEMATIC NAME: 6-methoxy-2,2,4-trimethyl-1-(4-methylphenyl)sulfonyl-quinoline
MOLECULAR FORMULA: C20H23NO3S
MOLECULAR WEIGHT: 357.46652
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2C3=C(C=C(C=C3)OC)C(=CC2(C)C)C
Structure:
CAS RN: 30738-49-9
CAS Name: 2,2-bis(4-bromophenyl)-2-hydroxyacetic acid
OPENEYE Name: 2,2-bis(4-bromophenyl)-2-hydroxy-acetic acid
IUPAC Name: 2,2-bis(4-bromophenyl)-2-hydroxyacetic acid
SYSTEMATIC NAME: 2,2-bis(4-bromophenyl)-2-oxidanyl-ethanoic acid
MOLECULAR FORMULA: C14H10Br2O3
MOLECULAR WEIGHT: 386.0354
SMILES: C1=CC(=CC=C1C(C2=CC=C(C=C2)Br)(C(=O)O)O)Br
Structure:
CAS RN: 5868-75-7
CAS Name: 1-(1-imidazolyl)-3-methyl-2-(phenylmethyl)-4-pyrido[1,2-a]benzimidazolecarbonitrile
OPENEYE Name: 2-benzyl-1-imidazol-1-yl-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile
IUPAC Name: 2-benzyl-1-imidazol-1-yl-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
SYSTEMATIC NAME: 1-imidazol-1-yl-3-methyl-2-(phenylmethyl)pyrido[1,2-a]benzimidazole-4-carbonitrile
MOLECULAR FORMULA: C23H17N5
MOLECULAR WEIGHT: 363.41458
SMILES: CC1=C(C2=NC3=CC=CC=C3N2C(=C1CC4=CC=CC=C4)N5C=CN=C5)C#N
Structure:
CAS RN: 5685-74-5
CAS Name: 8-[(2-chloro-6-fluorophenyl)methylthio]-3-methyl-7-(3-methylbutyl)purine-2,6-dione
OPENEYE Name: 8-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-7-isopentyl-3-methyl-purine-2,6-dione
IUPAC Name: 8-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-methyl-7-(3-methylbutyl)purine-2,6-dione
SYSTEMATIC NAME: 8-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-3-methyl-7-(3-methylbutyl)purine-2,6-dione
MOLECULAR FORMULA: C18H20ClFN4O2S
MOLECULAR WEIGHT: 410.893403
SMILES: CC(C)CCN1C2=C(N=C1SCC3=C(C=CC=C3Cl)F)N(C(=O)NC2=O)C
Structure:
CAS RN: 6049-16-7
CAS Name: 3-methyl-5-[[2-(2-methylphenoxy)-1-oxoethyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester
OPENEYE Name: diethyl 3-methyl-5-[[2-(2-methylphenoxy)acetyl]amino]thiophene-2,4-dicarboxylate
IUPAC Name: diethyl 3-methyl-5-[[2-(2-methylphenoxy)acetyl]amino]thiophene-2,4-dicarboxylate
SYSTEMATIC NAME: diethyl 3-methyl-5-[2-(2-methylphenoxy)ethanoylamino]thiophene-2,4-dicarboxylate
MOLECULAR FORMULA: C20H23NO6S
MOLECULAR WEIGHT: 405.46472
SMILES: CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)COC2=CC=CC=C2C
Structure:
CAS RN: 5886-58-8
CAS Name: 2-[[2-(2-methylphenoxy)-1-oxoethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester
OPENEYE Name: ethyl 2-[[2-(2-methylphenoxy)acetyl]amino]-4-phenyl-thiophene-3-carboxylate
IUPAC Name: ethyl 2-[[2-(2-methylphenoxy)acetyl]amino]-4-phenylthiophene-3-carboxylate
SYSTEMATIC NAME: ethyl 2-[2-(2-methylphenoxy)ethanoylamino]-4-phenyl-thiophene-3-carboxylate
MOLECULAR FORMULA: C22H21NO4S
MOLECULAR WEIGHT: 395.47144
SMILES: CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)COC3=CC=CC=C3C
Structure:
CAS RN: 5854-46-6
CAS Name: N-(2-carbamoylphenyl)-3-(2-chlorophenyl)-5-methyl-4-isoxazolecarboxamide
OPENEYE Name: N-(2-carbamoylphenyl)-3-(2-chlorophenyl)-5-methyl-isoxazole-4-carboxamide
IUPAC Name: N-(2-carbamoylphenyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
SYSTEMATIC NAME: N-(2-aminocarbonylphenyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
MOLECULAR FORMULA: C18H14ClN3O3
MOLECULAR WEIGHT: 355.77506
SMILES: CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NC3=CC=CC=C3C(=O)N
Structure:
CAS RN: 6649-21-4
CAS Name: N-[4-[[1-(2-methylphenyl)-2H-imidazo[4,5-b]quinoxalin-3-yl]sulfonyl]phenyl]acetamide
OPENEYE Name: N-[4-[[1-(o-tolyl)-2H-imidazo[4,5-b]quinoxalin-3-yl]sulfonyl]phenyl]acetamide
IUPAC Name: N-[4-[[1-(2-methylphenyl)-2H-imidazo[4,5-b]quinoxalin-3-yl]sulfonyl]phenyl]acetamide
SYSTEMATIC NAME: N-[4-[[1-(2-methylphenyl)-2H-imidazo[4,5-b]quinoxalin-3-yl]sulfonyl]phenyl]ethanamide
MOLECULAR FORMULA: C24H21N5O3S
MOLECULAR WEIGHT: 459.52024
SMILES: CC1=CC=CC=C1N2CN(C3=NC4=CC=CC=C4N=C32)S(=O)(=O)C5=CC=C(C=C5)NC(=O)C
Structure:
CAS RN: 6132-25-8
CAS Name: N-(4-bromophenyl)-3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolecarboxamide
OPENEYE Name: N-(4-bromophenyl)-3-(2-chloro-6-fluoro-phenyl)-5-methyl-isoxazole-4-carboxamide
IUPAC Name: N-(4-bromophenyl)-3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
SYSTEMATIC NAME: N-(4-bromophenyl)-3-(2-chloranyl-6-fluoranyl-phenyl)-5-methyl-1,2-oxazole-4-carboxamide
MOLECULAR FORMULA: C17H11BrClFN2O2
MOLECULAR WEIGHT: 409.636843
SMILES: CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)NC3=CC=C(C=C3)Br
Structure:
CAS RN: 6238-88-6
CAS Name: 4-[(8-methyl-2-oxo-4-phenyl-1-benzopyran-7-yl)oxymethyl]benzoic acid methyl ester
OPENEYE Name: methyl 4-[(8-methyl-2-oxo-4-phenyl-chromen-7-yl)oxymethyl]benzoate
IUPAC Name: methyl 4-[(8-methyl-2-oxo-4-phenylchromen-7-yl)oxymethyl]benzoate
SYSTEMATIC NAME: methyl 4-[(8-methyl-2-oxidanylidene-4-phenyl-chromen-7-yl)oxymethyl]benzoate
MOLECULAR FORMULA: C25H20O5
MOLECULAR WEIGHT: 400.4233
SMILES: CC1=C(C=CC2=C1OC(=O)C=C2C3=CC=CC=C3)OCC4=CC=C(C=C4)C(=O)OC
Structure:
CAS RN: 5321-67-5
CAS Name: 2-[[5-[(2-ethoxy-4-methylphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]-N-[3-(methylthio)phenyl]acetamide
OPENEYE Name: 2-[[5-[(2-ethoxy-4-methyl-phenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methylsulfanylphenyl)acetamide
IUPAC Name: 2-[[5-[(2-ethoxy-4-methylphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methylsulfanylphenyl)acetamide
SYSTEMATIC NAME: 2-[[5-[(2-ethoxy-4-methyl-phenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methylsulfanylphenyl)ethanamide
MOLECULAR FORMULA: C22H26N4O3S2
MOLECULAR WEIGHT: 458.59684
SMILES: CCOC1=C(C=CC(=C1)C)OCC2=NN=C(N2C)SCC(=O)NC3=CC(=CC=C3)SC
Structure:
CAS RN: 74101-10-3
CAS Name: 5-(4-chlorophenyl)-2-(4-phenyl-2-thiazolyl)-3-pyrazolamine
OPENEYE Name: 5-(4-chlorophenyl)-2-(4-phenylthiazol-2-yl)pyrazol-3-amine
IUPAC Name: 5-(4-chlorophenyl)-2-(4-phenyl-1,3-thiazol-2-yl)pyrazol-3-amine
SYSTEMATIC NAME: 5-(4-chlorophenyl)-2-(4-phenyl-1,3-thiazol-2-yl)pyrazol-3-amine
MOLECULAR FORMULA: C18H13ClN4S
MOLECULAR WEIGHT: 352.84062
SMILES: C1=CC=C(C=C1)C2=CSC(=N2)N3C(=CC(=N3)C4=CC=C(C=C4)Cl)N
Structure:
CAS RN: 6472-62-4
CAS Name: 6,8-dibromo-2-(2-methoxyphenyl)cyclohepta[b]pyran-4,9-dione
OPENEYE Name: 6,8-dibromo-2-(2-methoxyphenyl)cyclohepta[b]pyran-4,9-dione
IUPAC Name: 6,8-dibromo-2-(2-methoxyphenyl)cyclohepta[b]pyran-4,9-dione
SYSTEMATIC NAME: 6,8-bis(bromanyl)-2-(2-methoxyphenyl)cyclohepta[b]pyran-4,9-dione
MOLECULAR FORMULA: C17H10Br2O4
MOLECULAR WEIGHT: 438.0669
SMILES: COC1=CC=CC=C1C2=CC(=O)C3=C(O2)C(=O)C(=CC(=C3)Br)Br
Structure:
CAS RN: 5352-36-3
CAS Name: 4-chloro-N-(diphenylmethyl)benzenesulfonamide
OPENEYE Name: N-benzhydryl-4-chloro-benzenesulfonamide
IUPAC Name: N-benzhydryl-4-chlorobenzenesulfonamide
SYSTEMATIC NAME: 4-chloranyl-N-(diphenylmethyl)benzenesulfonamide
MOLECULAR FORMULA: C19H16ClNO2S
MOLECULAR WEIGHT: 357.85384
SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)Cl
Structure:
CAS RN: 6340-01-8
CAS Name: 5-[(4-ethoxy-1-naphthalenyl)methylidene]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
OPENEYE Name: 5-[(4-ethoxy-1-naphthyl)methylene]-1,3-dimethyl-2-thioxo-hexahydropyrimidine-4,6-dione
IUPAC Name: 5-[(4-ethoxynaphthalen-1-yl)methylidene]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
SYSTEMATIC NAME: 5-[(4-ethoxynaphthalen-1-yl)methylidene]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
MOLECULAR FORMULA: C19H18N2O3S
MOLECULAR WEIGHT: 354.42282
SMILES: CCOC1=CC=C(C2=CC=CC=C21)C=C3C(=O)N(C(=S)N(C3=O)C)C
Structure:
CAS RN: 52535-71-4
CAS Name: 2-[[(4-chlorophenyl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester
OPENEYE Name: ethyl 2-[(4-chlorobenzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate
IUPAC Name: ethyl 2-[(4-chlorobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SYSTEMATIC NAME: ethyl 2-[(4-chlorophenyl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
MOLECULAR FORMULA: C18H18ClNO3S
MOLECULAR WEIGHT: 363.85842
SMILES: CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC=C(C=C3)Cl
Structure:
CAS RN: 121497-05-0
CAS Name: 4-(4-methoxycarbonylphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid dimethyl ester
OPENEYE Name: dimethyl 4-(4-methoxycarbonylphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
IUPAC Name: dimethyl 4-(4-methoxycarbonylphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
SYSTEMATIC NAME: dimethyl 4-(4-methoxycarbonylphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
MOLECULAR FORMULA: C19H21NO6
MOLECULAR WEIGHT: 359.37314
SMILES: CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC=C(C=C2)C(=O)OC)C(=O)OC
Structure:
CAS RN: 84100-16-3
CAS Name: acetic acid [3-[(4-chloro-2-methylanilino)-oxomethyl]-2-naphthalenyl] ester
OPENEYE Name: [3-[(4-chloro-2-methyl-phenyl)carbamoyl]-2-naphthyl] acetate
IUPAC Name: [3-[(4-chloro-2-methylphenyl)carbamoyl]naphthalen-2-yl] acetate
SYSTEMATIC NAME: [3-[(4-chloranyl-2-methyl-phenyl)carbamoyl]naphthalen-2-yl] ethanoate
MOLECULAR FORMULA: C20H16ClNO3
MOLECULAR WEIGHT: 353.79894
SMILES: CC1=C(C=CC(=C1)Cl)NC(=O)C2=CC3=CC=CC=C3C=C2OC(=O)C
Structure:
CAS RN: 5348-79-8
CAS Name: N1,N4-bis(2,5-dimethylphenyl)benzene-1,4-dicarboxamide
OPENEYE Name: N1,N4-bis(2,5-dimethylphenyl)terephthalamide
IUPAC Name: 1-N,4-N-bis(2,5-dimethylphenyl)benzene-1,4-dicarboxamide
SYSTEMATIC NAME: N1,N4-bis(2,5-dimethylphenyl)benzene-1,4-dicarboxamide
MOLECULAR FORMULA: C24H24N2O2
MOLECULAR WEIGHT: 372.45956
SMILES: CC1=CC(=C(C=C1)C)NC(=O)C2=CC=C(C=C2)C(=O)NC3=C(C=CC(=C3)C)C
Structure:
CAS RN: 5869-89-6
CAS Name: 2-ethyl-3-methyl-1-[4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]-4-pyrido[1,2-a]benzimidazolecarbonitrile
OPENEYE Name: 1-[4-[(E)-cinnamyl]piperazin-1-yl]-2-ethyl-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile
IUPAC Name: 2-ethyl-3-methyl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrido[1,2-a]benzimidazole-4-carbonitrile
SYSTEMATIC NAME: 2-ethyl-3-methyl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrido[1,2-a]benzimidazole-4-carbonitrile
MOLECULAR FORMULA: C28H29N5
MOLECULAR WEIGHT: 435.56336
SMILES: CCC1=C(N2C3=CC=CC=C3N=C2C(=C1C)C#N)N4CCN(CC4)C/C=C/C5=CC=CC=C5
Structure:
CAS RN: 5865-09-8
CAS Name: 4-(4-chlorophenyl)-3-(2,4-dichlorophenyl)-1H-1,2,4-triazole-5-thione
OPENEYE Name: 4-(4-chlorophenyl)-3-(2,4-dichlorophenyl)-1H-1,2,4-triazole-5-thione
IUPAC Name: 4-(4-chlorophenyl)-3-(2,4-dichlorophenyl)-1H-1,2,4-triazole-5-thione
SYSTEMATIC NAME: 4-(4-chlorophenyl)-3-(2,4-dichlorophenyl)-1H-1,2,4-triazole-5-thione
MOLECULAR FORMULA: C14H8Cl3N3S
MOLECULAR WEIGHT: 356.65742
SMILES: C1=CC(=CC=C1N2C(=NNC2=S)C3=C(C=C(C=C3)Cl)Cl)Cl
Structure:
CAS RN: 80761-89-3
CAS Name: 2-[[6-ethyl-3-(2-methyl-4-thiazolyl)-4-oxo-1-benzopyran-7-yl]oxy]acetic acid ethyl ester
OPENEYE Name: ethyl 2-[6-ethyl-3-(2-methylthiazol-4-yl)-4-oxo-chromen-7-yl]oxyacetate
IUPAC Name: ethyl 2-[6-ethyl-3-(2-methyl-1,3-thiazol-4-yl)-4-oxochromen-7-yl]oxyacetate
SYSTEMATIC NAME: ethyl 2-[6-ethyl-3-(2-methyl-1,3-thiazol-4-yl)-4-oxidanylidene-chromen-7-yl]oxyethanoate
MOLECULAR FORMULA: C19H19NO5S
MOLECULAR WEIGHT: 373.42286
SMILES: CCC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=CSC(=N3)C)OCC(=O)OCC
Structure:
CAS RN: 137988-11-5
CAS Name: acetic acid [3-(2,4-dichlorophenoxy)-4-oxo-1-benzopyran-7-yl] ester
OPENEYE Name: [3-(2,4-dichlorophenoxy)-4-oxo-chromen-7-yl] acetate
IUPAC Name: [3-(2,4-dichlorophenoxy)-4-oxochromen-7-yl] acetate
SYSTEMATIC NAME: [3-[2,4-bis(chloranyl)phenoxy]-4-oxidanylidene-chromen-7-yl] ethanoate
MOLECULAR FORMULA: C17H10Cl2O5
MOLECULAR WEIGHT: 365.1643
SMILES: CC(=O)OC1=CC2=C(C=C1)C(=O)C(=CO2)OC3=C(C=C(C=C3)Cl)Cl
Structure:
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