[2-tert-butyl-5-methyl-4-(4-methylphenyl)sulfanyl-pyrazol-3-yl] 2-naphthalen-1-ylethanoate

Systemtic Name: [2-tert-butyl-5-methyl-4-(4-methylphenyl)sulfanyl-pyrazol-3-yl] 2-naphthalen-1-ylethanoate Openeye Name: [2-tert-butyl-5-methyl-4-(p-tolylsulfanyl)pyrazol-3-yl] 2-(1-naphthyl)acetate CAS Name: 2-(1-naphthalenyl)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-naphthalen-1-ylacetate Traditional Name: 2-(1-naphthyl)acetic acid [2-tert-butyl-5-methyl-4-(p-tolylthio)pyrazol-3-yl] ester Formula: C27H28N2O2S MolecularWeight: 444.58842

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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=CC4=CC=CC=C43

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(N(N=C2C)C(C)(C)C)OC(=O)CC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C27H28N2O2S/c1-18-13-15-22(16-14-18)32-25-19(2)28-29(27(3,4)5)26(25)31-24(30)17-21-11-8-10-20-9-6-7-12-23(20)21/h6-16H,17H2,1-5H3