[5-methyl-2-(4-methylphenyl)pyrazol-3-yl] 4-methylbenzenesulfonate

Systemtic Name: [5-methyl-2-(4-methylphenyl)pyrazol-3-yl] 4-methylbenzenesulfonate Openeye Name: [5-methyl-2-(p-tolyl)pyrazol-3-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [5-methyl-2-(4-methylphenyl)-3-pyrazolyl] ester IUPAC Name: [5-methyl-2-(4-methylphenyl)pyrazol-3-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [5-methyl-2-(p-tolyl)pyrazol-3-yl] ester Formula: C18H18N2O3S MolecularWeight: 342.41212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O3S/c1-13-4-8-16(9-5-13)20-18(12-15(3)19-20)23-24(21,22)17-10-6-14(2)7-11-17/h4-12H,1-3H3