[2-(3-chlorophenyl)-5-ethyl-pyrazol-3-yl] 4-methylbenzenesulfonate

Systemtic Name: [2-(3-chlorophenyl)-5-ethyl-pyrazol-3-yl] 4-methylbenzenesulfonate Openeye Name: [2-(3-chlorophenyl)-5-ethyl-pyrazol-3-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-(3-chlorophenyl)-5-ethyl-3-pyrazolyl] ester IUPAC Name: [2-(3-chlorophenyl)-5-ethylpyrazol-3-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-(3-chlorophenyl)-5-ethyl-pyrazol-3-yl] ester Formula: C18H17ClN2O3S MolecularWeight: 376.85718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17ClN2O3S/c1-3-15-12-18(21(20-15)16-6-4-5-14(19)11-16)24-25(22,23)17-9-7-13(2)8-10-17/h4-12H,3H2,1-2H3