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

Systemtic Name: [2-tert-butyl-5-methyl-4-(4-methylphenyl)sulfanyl-pyrazol-3-yl] naphthalene-1-carboxylate Openeye Name: [2-tert-butyl-5-methyl-4-(p-tolylsulfanyl)pyrazol-3-yl] naphthalene-1-carboxylate CAS Name: 1-naphthalenecarboxylic 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] naphthalene-1-carboxylate Traditional Name: naphthalene-1-carboxylic acid [2-tert-butyl-5-methyl-4-(p-tolylthio)pyrazol-3-yl] ester Formula: C26H26N2O2S MolecularWeight: 430.56184

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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)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(N(N=C2C)C(C)(C)C)OC(=O)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C26H26N2O2S/c1-17-13-15-20(16-14-17)31-23-18(2)27-28(26(3,4)5)24(23)30-25(29)22-12-8-10-19-9-6-7-11-21(19)22/h6-16H,1-5H3