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

Systemtic Name: [5-methyl-4-(4-methylphenyl)sulfanyl-2-phenyl-pyrazol-3-yl] naphthalene-1-carboxylate Openeye Name: [5-methyl-2-phenyl-4-(p-tolylsulfanyl)pyrazol-3-yl] naphthalene-1-carboxylate CAS Name: 1-naphthalenecarboxylic acid [5-methyl-4-[(4-methylphenyl)thio]-2-phenyl-3-pyrazolyl] ester IUPAC Name: [5-methyl-4-(4-methylphenyl)sulfanyl-2-phenylpyrazol-3-yl] naphthalene-1-carboxylate Traditional Name: naphthalene-1-carboxylic acid [5-methyl-2-phenyl-4-(p-tolylthio)pyrazol-3-yl] ester Formula: C28H22N2O2S MolecularWeight: 450.55148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(N(N=C2C)C3=CC=CC=C3)OC(=O)C4=CC=CC5=CC=CC=C54

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(N(N=C2C)C3=CC=CC=C3)OC(=O)C4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C28H22N2O2S/c1-19-15-17-23(18-16-19)33-26-20(2)29-30(22-11-4-3-5-12-22)27(26)32-28(31)25-14-8-10-21-9-6-7-13-24(21)25/h3-18H,1-2H3