[5-tert-butyl-2-(4-fluorophenyl)pyrazol-3-yl] 4-methylbenzenesulfonate

Systemtic Name: [5-tert-butyl-2-(4-fluorophenyl)pyrazol-3-yl] 4-methylbenzenesulfonate Openeye Name: [5-tert-butyl-2-(4-fluorophenyl)pyrazol-3-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [5-tert-butyl-2-(4-fluorophenyl)-3-pyrazolyl] ester IUPAC Name: [5-tert-butyl-2-(4-fluorophenyl)pyrazol-3-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [5-tert-butyl-2-(4-fluorophenyl)pyrazol-3-yl] ester Formula: C20H21FN2O3S MolecularWeight: 388.455743

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=NN2C3=CC=C(C=C3)F)C(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=NN2C3=CC=C(C=C3)F)C(C)(C)C

InChI

InChI=1S/C20H21FN2O3S/c1-14-5-11-17(12-6-14)27(24,25)26-19-13-18(20(2,3)4)22-23(19)16-9-7-15(21)8-10-16/h5-13H,1-4H3