(5-ethyl-2-phenyl-pyrazol-3-yl) 4-chloranylbenzenesulfonate

Systemtic Name: (5-ethyl-2-phenyl-pyrazol-3-yl) 4-chloranylbenzenesulfonate Openeye Name: (5-ethyl-2-phenyl-pyrazol-3-yl) 4-chlorobenzenesulfonate CAS Name: 4-chlorobenzenesulfonic acid (5-ethyl-2-phenyl-3-pyrazolyl) ester IUPAC Name: (5-ethyl-2-phenylpyrazol-3-yl) 4-chlorobenzenesulfonate Traditional Name: 4-chlorobenzenesulfonic acid (5-ethyl-2-phenyl-pyrazol-3-yl) ester Formula: C17H15ClN2O3S MolecularWeight: 362.8306

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15ClN2O3S/c1-2-14-12-17(20(19-14)15-6-4-3-5-7-15)23-24(21,22)16-10-8-13(18)9-11-16/h3-12H,2H2,1H3