[5-methyl-2-(4-methylphenyl)pyrazol-3-yl] quinoline-8-sulfonate

Systemtic Name: [5-methyl-2-(4-methylphenyl)pyrazol-3-yl] quinoline-8-sulfonate Openeye Name: [5-methyl-2-(p-tolyl)pyrazol-3-yl] quinoline-8-sulfonate CAS Name: 8-quinolinesulfonic acid [5-methyl-2-(4-methylphenyl)-3-pyrazolyl] ester IUPAC Name: [5-methyl-2-(4-methylphenyl)pyrazol-3-yl] quinoline-8-sulfonate Traditional Name: quinoline-8-sulfonic acid [5-methyl-2-(p-tolyl)pyrazol-3-yl] ester Formula: C20H17N3O3S MolecularWeight: 379.43228

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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=C3N=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=CC(=N2)C)OS(=O)(=O)C3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C20H17N3O3S/c1-14-8-10-17(11-9-14)23-19(13-15(2)22-23)26-27(24,25)18-7-3-5-16-6-4-12-21-20(16)18/h3-13H,1-2H3