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

Systemtic Name: [2-tert-butyl-5-methyl-4-(4-methylphenyl)sulfanyl-pyrazol-3-yl] 4-phenylbutanoate Openeye Name: [2-tert-butyl-5-methyl-4-(p-tolylsulfanyl)pyrazol-3-yl] 4-phenylbutanoate CAS Name: 4-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] 4-phenylbutanoate Traditional Name: 4-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:

CC1=CC=C(C=C1)SC2=C(N(N=C2C)C(C)(C)C)OC(=O)CCCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(N(N=C2C)C(C)(C)C)OC(=O)CCCC3=CC=CC=C3

InChI

InChI=1S/C25H30N2O2S/c1-18-14-16-21(17-15-18)30-23-19(2)26-27(25(3,4)5)24(23)29-22(28)13-9-12-20-10-7-6-8-11-20/h6-8,10-11,14-17H,9,12-13H2,1-5H3