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

Systemtic Name: [5-methyl-4-(4-methylphenyl)sulfanyl-2-phenyl-pyrazol-3-yl] 4-phenylbenzoate Openeye Name: [5-methyl-2-phenyl-4-(p-tolylsulfanyl)pyrazol-3-yl] 4-phenylbenzoate CAS Name: 4-phenylbenzoic 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-phenylbenzoate Traditional Name: 4-phenylbenzoic acid [5-methyl-2-phenyl-4-(p-tolylthio)pyrazol-3-yl] ester Formula: C30H24N2O2S MolecularWeight: 476.58876

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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)C4=CC=C(C=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(N(N=C2C)C3=CC=CC=C3)OC(=O)C4=CC=C(C=C4)C5=CC=CC=C5

InChI

InChI=1S/C30H24N2O2S/c1-21-13-19-27(20-14-21)35-28-22(2)31-32(26-11-7-4-8-12-26)29(28)34-30(33)25-17-15-24(16-18-25)23-9-5-3-6-10-23/h3-20H,1-2H3