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

Systemtic Name: [5-methyl-2-(4-methylphenyl)pyrazol-3-yl] naphthalene-1-sulfonate Openeye Name: [5-methyl-2-(p-tolyl)pyrazol-3-yl] naphthalene-1-sulfonate CAS Name: 1-naphthalenesulfonic acid [5-methyl-2-(4-methylphenyl)-3-pyrazolyl] ester IUPAC Name: [5-methyl-2-(4-methylphenyl)pyrazol-3-yl] naphthalene-1-sulfonate Traditional Name: naphthalene-1-sulfonic acid [5-methyl-2-(p-tolyl)pyrazol-3-yl] ester Formula: C21H18N2O3S MolecularWeight: 378.44422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=CC(=N2)C)OS(=O)(=O)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=CC(=N2)C)OS(=O)(=O)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C21H18N2O3S/c1-15-10-12-18(13-11-15)23-21(14-16(2)22-23)26-27(24,25)20-9-5-7-17-6-3-4-8-19(17)20/h3-14H,1-2H3