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

Systemtic Name: [2-(3-methylphenyl)-5-phenyl-pyrazol-3-yl] quinoline-8-sulfonate Openeye Name: [2-(m-tolyl)-5-phenyl-pyrazol-3-yl] quinoline-8-sulfonate CAS Name: 8-quinolinesulfonic acid [2-(3-methylphenyl)-5-phenyl-3-pyrazolyl] ester IUPAC Name: [2-(3-methylphenyl)-5-phenylpyrazol-3-yl] quinoline-8-sulfonate Traditional Name: quinoline-8-sulfonic acid [2-(m-tolyl)-5-phenyl-pyrazol-3-yl] ester Formula: C25H19N3O3S MolecularWeight: 441.50166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=CC(=N2)C3=CC=CC=C3)OS(=O)(=O)C4=CC=CC5=C4N=CC=C5

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=CC(=N2)C3=CC=CC=C3)OS(=O)(=O)C4=CC=CC5=C4N=CC=C5

InChI

InChI=1S/C25H19N3O3S/c1-18-8-5-13-21(16-18)28-24(17-22(27-28)19-9-3-2-4-10-19)31-32(29,30)23-14-6-11-20-12-7-15-26-25(20)23/h2-17H,1H3