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

Systemtic Name: [2-tert-butyl-5-methyl-4-(4-methylphenyl)sulfanyl-pyrazol-3-yl] 2-(4-ethoxyphenyl)ethanoate Openeye Name: [2-tert-butyl-5-methyl-4-(p-tolylsulfanyl)pyrazol-3-yl] 2-(4-ethoxyphenyl)acetate CAS Name: 2-(4-ethoxyphenyl)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-(4-ethoxyphenyl)acetate Traditional Name: 2-p-phenetylacetic acid [2-tert-butyl-5-methyl-4-(p-tolylthio)pyrazol-3-yl] ester Formula: C25H30N2O3S MolecularWeight: 438.5823

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CC(=O)OC2=C(C(=NN2C(C)(C)C)C)SC3=CC=C(C=C3)C

Isomeric SMILES

CCOC1=CC=C(C=C1)CC(=O)OC2=C(C(=NN2C(C)(C)C)C)SC3=CC=C(C=C3)C

InChI

InChI=1S/C25H30N2O3S/c1-7-29-20-12-10-19(11-13-20)16-22(28)30-24-23(18(3)26-27(24)25(4,5)6)31-21-14-8-17(2)9-15-21/h8-15H,7,16H2,1-6H3