[1-methyl-5-(4-methylphenyl)sulfanyl-3-phenyl-pyrazol-4-yl]methyl 3-methylbenzoate

Systemtic Name: [1-methyl-5-(4-methylphenyl)sulfanyl-3-phenyl-pyrazol-4-yl]methyl 3-methylbenzoate Openeye Name: [1-methyl-3-phenyl-5-(p-tolylsulfanyl)pyrazol-4-yl]methyl 3-methylbenzoate CAS Name: 3-methylbenzoic acid [1-methyl-5-[(4-methylphenyl)thio]-3-phenyl-4-pyrazolyl]methyl ester IUPAC Name: [1-methyl-5-(4-methylphenyl)sulfanyl-3-phenylpyrazol-4-yl]methyl 3-methylbenzoate Traditional Name: 3-methylbenzoic acid [1-methyl-3-phenyl-5-(p-tolylthio)pyrazol-4-yl]methyl ester Formula: C26H24N2O2S MolecularWeight: 428.54596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C(=NN2C)C3=CC=CC=C3)COC(=O)C4=CC(=CC=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C(=NN2C)C3=CC=CC=C3)COC(=O)C4=CC(=CC=C4)C

InChI

InChI=1S/C26H24N2O2S/c1-18-12-14-22(15-13-18)31-25-23(17-30-26(29)21-11-7-8-19(2)16-21)24(27-28(25)3)20-9-5-4-6-10-20/h4-16H,17H2,1-3H3