[2-(4-methylphenyl)-5-phenyl-pyrazol-3-yl] 2,4,6-trimethylbenzenesulfonate

Systemtic Name: [2-(4-methylphenyl)-5-phenyl-pyrazol-3-yl] 2,4,6-trimethylbenzenesulfonate Openeye Name: [5-phenyl-2-(p-tolyl)pyrazol-3-yl] 2,4,6-trimethylbenzenesulfonate CAS Name: 2,4,6-trimethylbenzenesulfonic acid [2-(4-methylphenyl)-5-phenyl-3-pyrazolyl] ester IUPAC Name: [2-(4-methylphenyl)-5-phenylpyrazol-3-yl] 2,4,6-trimethylbenzenesulfonate Traditional Name: 2,4,6-trimethylbenzenesulfonic acid [5-phenyl-2-(p-tolyl)pyrazol-3-yl] ester Formula: C25H24N2O3S MolecularWeight: 432.53466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=CC(=N2)C3=CC=CC=C3)OS(=O)(=O)C4=C(C=C(C=C4C)C)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=CC(=N2)C3=CC=CC=C3)OS(=O)(=O)C4=C(C=C(C=C4C)C)C

InChI

InChI=1S/C25H24N2O3S/c1-17-10-12-22(13-11-17)27-24(16-23(26-27)21-8-6-5-7-9-21)30-31(28,29)25-19(3)14-18(2)15-20(25)4/h5-16H,1-4H3