(5-ethyl-2-phenyl-pyrazol-3-yl) 3-(trifluoromethyl)benzenesulfonate

Systemtic Name: (5-ethyl-2-phenyl-pyrazol-3-yl) 3-(trifluoromethyl)benzenesulfonate Openeye Name: (5-ethyl-2-phenyl-pyrazol-3-yl) 3-(trifluoromethyl)benzenesulfonate CAS Name: 3-(trifluoromethyl)benzenesulfonic acid (5-ethyl-2-phenyl-3-pyrazolyl) ester IUPAC Name: (5-ethyl-2-phenylpyrazol-3-yl) 3-(trifluoromethyl)benzenesulfonate Traditional Name: 3-(trifluoromethyl)benzenesulfonic acid (5-ethyl-2-phenyl-pyrazol-3-yl) ester Formula: C18H15F3N2O3S MolecularWeight: 396.38351

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=C1)OS(=O)(=O)C2=CC=CC(=C2)C(F)(F)F)C3=CC=CC=C3

Isomeric SMILES

CCC1=NN(C(=C1)OS(=O)(=O)C2=CC=CC(=C2)C(F)(F)F)C3=CC=CC=C3

InChI

InChI=1S/C18H15F3N2O3S/c1-2-14-12-17(23(22-14)15-8-4-3-5-9-15)26-27(24,25)16-10-6-7-13(11-16)18(19,20)21/h3-12H,2H2,1H3