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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(N(N=C2C)C(C)(C)C)OC(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(N(N=C2C)C(C)(C)C)OC(=O)C3=CC4=CC=CC=C4C=C3

InChI

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