[2-(4-methylphenyl)-5-phenyl-pyrazol-3-yl] naphthalene-1-sulfonate

Systemtic Name: [2-(4-methylphenyl)-5-phenyl-pyrazol-3-yl] naphthalene-1-sulfonate Openeye Name: [5-phenyl-2-(p-tolyl)pyrazol-3-yl] naphthalene-1-sulfonate CAS Name: 1-naphthalenesulfonic acid [2-(4-methylphenyl)-5-phenyl-3-pyrazolyl] ester IUPAC Name: [2-(4-methylphenyl)-5-phenylpyrazol-3-yl] naphthalene-1-sulfonate Traditional Name: naphthalene-1-sulfonic acid [5-phenyl-2-(p-tolyl)pyrazol-3-yl] ester Formula: C26H20N2O3S MolecularWeight: 440.5136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=CC(=N2)C3=CC=CC=C3)OS(=O)(=O)C4=CC=CC5=CC=CC=C54

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=CC(=N2)C3=CC=CC=C3)OS(=O)(=O)C4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C26H20N2O3S/c1-19-14-16-22(17-15-19)28-26(18-24(27-28)21-9-3-2-4-10-21)31-32(29,30)25-13-7-11-20-8-5-6-12-23(20)25/h2-18H,1H3