[2-tert-butyl-5-methyl-4-(4-methylphenyl)sulfanyl-pyrazol-3-yl] 3,4-dimethylbenzoate

Systemtic Name: [2-tert-butyl-5-methyl-4-(4-methylphenyl)sulfanyl-pyrazol-3-yl] 3,4-dimethylbenzoate Openeye Name: [2-tert-butyl-5-methyl-4-(p-tolylsulfanyl)pyrazol-3-yl] 3,4-dimethylbenzoate CAS Name: 3,4-dimethylbenzoic acid [2-tert-butyl-5-methyl-4-[(4-methylphenyl)thio]-3-pyrazolyl] ester IUPAC Name: [2-tert-butyl-5-methyl-4-(4-methylphenyl)sulfanylpyrazol-3-yl] 3,4-dimethylbenzoate Traditional Name: 3,4-dimethylbenzoic acid [2-tert-butyl-5-methyl-4-(p-tolylthio)pyrazol-3-yl] ester Formula: C24H28N2O2S MolecularWeight: 408.55632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28N2O2S/c1-15-8-12-20(13-9-15)29-21-18(4)25-26(24(5,6)7)22(21)28-23(27)19-11-10-16(2)17(3)14-19/h8-14H,1-7H3