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

Systemtic Name: [2-tert-butyl-5-methyl-4-(4-methylphenyl)sulfanyl-pyrazol-3-yl] 2-phenylbutanoate Openeye Name: [2-tert-butyl-5-methyl-4-(p-tolylsulfanyl)pyrazol-3-yl] 2-phenylbutanoate CAS Name: 2-phenylbutanoic 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] 2-phenylbutanoate Traditional Name: 2-phenylbutyric acid [2-tert-butyl-5-methyl-4-(p-tolylthio)pyrazol-3-yl] ester Formula: C25H30N2O2S MolecularWeight: 422.5829

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)OC2=C(C(=NN2C(C)(C)C)C)SC3=CC=C(C=C3)C

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)OC2=C(C(=NN2C(C)(C)C)C)SC3=CC=C(C=C3)C

InChI

InChI=1S/C25H30N2O2S/c1-7-21(19-11-9-8-10-12-19)24(28)29-23-22(18(3)26-27(23)25(4,5)6)30-20-15-13-17(2)14-16-20/h8-16,21H,7H2,1-6H3