[2-(2,4-dimethylphenyl)-5-ethyl-pyrazol-3-yl] benzenesulfonate

Systemtic Name: [2-(2,4-dimethylphenyl)-5-ethyl-pyrazol-3-yl] benzenesulfonate Openeye Name: [2-(2,4-dimethylphenyl)-5-ethyl-pyrazol-3-yl] benzenesulfonate CAS Name: benzenesulfonic acid [2-(2,4-dimethylphenyl)-5-ethyl-3-pyrazolyl] ester IUPAC Name: [2-(2,4-dimethylphenyl)-5-ethylpyrazol-3-yl] benzenesulfonate Traditional Name: benzenesulfonic acid [2-(2,4-dimethylphenyl)-5-ethyl-pyrazol-3-yl] ester Formula: C19H20N2O3S MolecularWeight: 356.4387

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O3S/c1-4-16-13-19(24-25(22,23)17-8-6-5-7-9-17)21(20-16)18-11-10-14(2)12-15(18)3/h5-13H,4H2,1-3H3