(5-tert-butyl-2-phenyl-pyrazol-3-yl) 4-bromanylbenzenesulfonate

Systemtic Name: (5-tert-butyl-2-phenyl-pyrazol-3-yl) 4-bromanylbenzenesulfonate Openeye Name: (5-tert-butyl-2-phenyl-pyrazol-3-yl) 4-bromobenzenesulfonate CAS Name: 4-bromobenzenesulfonic acid (5-tert-butyl-2-phenyl-3-pyrazolyl) ester IUPAC Name: (5-tert-butyl-2-phenylpyrazol-3-yl) 4-bromobenzenesulfonate Traditional Name: 4-bromobenzenesulfonic acid (5-tert-butyl-2-phenyl-pyrazol-3-yl) ester Formula: C19H19BrN2O3S MolecularWeight: 435.33476

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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=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C19H19BrN2O3S/c1-19(2,3)17-13-18(22(21-17)15-7-5-4-6-8-15)25-26(23,24)16-11-9-14(20)10-12-16/h4-13H,1-3H3