[5-methyl-4-(4-methylphenyl)sulfanyl-2-phenyl-pyrazol-3-yl] 4-phenylbutanoate

Systemtic Name: [5-methyl-4-(4-methylphenyl)sulfanyl-2-phenyl-pyrazol-3-yl] 4-phenylbutanoate Openeye Name: [5-methyl-2-phenyl-4-(p-tolylsulfanyl)pyrazol-3-yl] 4-phenylbutanoate CAS Name: 4-phenylbutanoic acid [5-methyl-4-[(4-methylphenyl)thio]-2-phenyl-3-pyrazolyl] ester IUPAC Name: [5-methyl-4-(4-methylphenyl)sulfanyl-2-phenylpyrazol-3-yl] 4-phenylbutanoate Traditional Name: 4-phenylbutyric acid [5-methyl-2-phenyl-4-(p-tolylthio)pyrazol-3-yl] ester Formula: C27H26N2O2S MolecularWeight: 442.57254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(N(N=C2C)C3=CC=CC=C3)OC(=O)CCCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(N(N=C2C)C3=CC=CC=C3)OC(=O)CCCC4=CC=CC=C4

InChI

InChI=1S/C27H26N2O2S/c1-20-16-18-24(19-17-20)32-26-21(2)28-29(23-13-7-4-8-14-23)27(26)31-25(30)15-9-12-22-10-5-3-6-11-22/h3-8,10-11,13-14,16-19H,9,12,15H2,1-2H3