[5-methyl-4-(4-methylphenyl)sulfanyl-2-phenyl-pyrazol-3-yl] 2-(3,5-dimethylphenyl)ethanoate

Systemtic Name: [5-methyl-4-(4-methylphenyl)sulfanyl-2-phenyl-pyrazol-3-yl] 2-(3,5-dimethylphenyl)ethanoate Openeye Name: [5-methyl-2-phenyl-4-(p-tolylsulfanyl)pyrazol-3-yl] 2-(3,5-dimethylphenyl)acetate CAS Name: 2-(3,5-dimethylphenyl)acetic acid [5-methyl-4-[(4-methylphenyl)thio]-2-phenyl-3-pyrazolyl] ester IUPAC Name: [5-methyl-4-(4-methylphenyl)sulfanyl-2-phenylpyrazol-3-yl] 2-(3,5-dimethylphenyl)acetate Traditional Name: 2-(3,5-dimethylphenyl)acetic 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)CC4=CC(=CC(=C4)C)C

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(N(N=C2C)C3=CC=CC=C3)OC(=O)CC4=CC(=CC(=C4)C)C

InChI

InChI=1S/C27H26N2O2S/c1-18-10-12-24(13-11-18)32-26-21(4)28-29(23-8-6-5-7-9-23)27(26)31-25(30)17-22-15-19(2)14-20(3)16-22/h5-16H,17H2,1-4H3