[2-(4-chlorophenyl)-5-phenyl-pyrazol-3-yl] 4-tert-butylbenzenesulfonate

Systemtic Name: [2-(4-chlorophenyl)-5-phenyl-pyrazol-3-yl] 4-tert-butylbenzenesulfonate Openeye Name: [2-(4-chlorophenyl)-5-phenyl-pyrazol-3-yl] 4-tert-butylbenzenesulfonate CAS Name: 4-tert-butylbenzenesulfonic acid [2-(4-chlorophenyl)-5-phenyl-3-pyrazolyl] ester IUPAC Name: [2-(4-chlorophenyl)-5-phenylpyrazol-3-yl] 4-tert-butylbenzenesulfonate Traditional Name: 4-tert-butylbenzenesulfonic acid [2-(4-chlorophenyl)-5-phenyl-pyrazol-3-yl] ester Formula: C25H23ClN2O3S MolecularWeight: 466.97972

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)OC2=CC(=NN2C3=CC=C(C=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)OC2=CC(=NN2C3=CC=C(C=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C25H23ClN2O3S/c1-25(2,3)19-9-15-22(16-10-19)32(29,30)31-24-17-23(18-7-5-4-6-8-18)27-28(24)21-13-11-20(26)12-14-21/h4-17H,1-3H3