[2-(4-methylphenyl)-5-phenyl-pyrazol-3-yl] 4-nitrobenzenesulfonate

Systemtic Name: [2-(4-methylphenyl)-5-phenyl-pyrazol-3-yl] 4-nitrobenzenesulfonate Openeye Name: [5-phenyl-2-(p-tolyl)pyrazol-3-yl] 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid [2-(4-methylphenyl)-5-phenyl-3-pyrazolyl] ester IUPAC Name: [2-(4-methylphenyl)-5-phenylpyrazol-3-yl] 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid [5-phenyl-2-(p-tolyl)pyrazol-3-yl] ester Formula: C22H17N3O5S MolecularWeight: 435.45248

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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=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=CC(=N2)C3=CC=CC=C3)OS(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H17N3O5S/c1-16-7-9-18(10-8-16)24-22(15-21(23-24)17-5-3-2-4-6-17)30-31(28,29)20-13-11-19(12-14-20)25(26)27/h2-15H,1H3