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

Systemtic Name: [2-tert-butyl-5-methyl-4-(4-methylphenyl)sulfanyl-pyrazol-3-yl] 2-(3,5-dimethylphenyl)ethanoate Openeye Name: [2-tert-butyl-5-methyl-4-(p-tolylsulfanyl)pyrazol-3-yl] 2-(3,5-dimethylphenyl)acetate CAS Name: 2-(3,5-dimethylphenyl)acetic 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-(3,5-dimethylphenyl)acetate Traditional Name: 2-(3,5-dimethylphenyl)acetic 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)CC3=CC(=CC(=C3)C)C

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(N(N=C2C)C(C)(C)C)OC(=O)CC3=CC(=CC(=C3)C)C

InChI

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