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

Systemtic Name: [5-tert-butyl-2-(4-fluorophenyl)pyrazol-3-yl] 4-bromanylbenzenesulfonate Openeye Name: [5-tert-butyl-2-(4-fluorophenyl)pyrazol-3-yl] 4-bromobenzenesulfonate CAS Name: 4-bromobenzenesulfonic acid [5-tert-butyl-2-(4-fluorophenyl)-3-pyrazolyl] ester IUPAC Name: [5-tert-butyl-2-(4-fluorophenyl)pyrazol-3-yl] 4-bromobenzenesulfonate Traditional Name: 4-bromobenzenesulfonic acid [5-tert-butyl-2-(4-fluorophenyl)pyrazol-3-yl] ester Formula: C19H18BrFN2O3S MolecularWeight: 453.325223

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)OS(=O)(=O)C2=CC=C(C=C2)Br)C3=CC=C(C=C3)F

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)OS(=O)(=O)C2=CC=C(C=C2)Br)C3=CC=C(C=C3)F

InChI

InChI=1S/C19H18BrFN2O3S/c1-19(2,3)17-12-18(23(22-17)15-8-6-14(21)7-9-15)26-27(24,25)16-10-4-13(20)5-11-16/h4-12H,1-3H3