[2-(2,3-dimethylphenyl)-5-phenyl-pyrazol-3-yl] 4-methylbenzenesulfonate

Systemtic Name: [2-(2,3-dimethylphenyl)-5-phenyl-pyrazol-3-yl] 4-methylbenzenesulfonate Openeye Name: [2-(2,3-dimethylphenyl)-5-phenyl-pyrazol-3-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-(2,3-dimethylphenyl)-5-phenyl-3-pyrazolyl] ester IUPAC Name: [2-(2,3-dimethylphenyl)-5-phenylpyrazol-3-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-(2,3-dimethylphenyl)-5-phenyl-pyrazol-3-yl] ester Formula: C24H22N2O3S MolecularWeight: 418.50808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=NN2C3=CC=CC(=C3C)C)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=NN2C3=CC=CC(=C3C)C)C4=CC=CC=C4

InChI

InChI=1S/C24H22N2O3S/c1-17-12-14-21(15-13-17)30(27,28)29-24-16-22(20-9-5-4-6-10-20)25-26(24)23-11-7-8-18(2)19(23)3/h4-16H,1-3H3