[2-(5-methyl-1-phenyl-pyrazol-4-yl)-2-oxidanylidene-ethyl] 4-methylbenzenesulfonate

Systemtic Name: [2-(5-methyl-1-phenyl-pyrazol-4-yl)-2-oxidanylidene-ethyl] 4-methylbenzenesulfonate Openeye Name: [2-(5-methyl-1-phenyl-pyrazol-4-yl)-2-oxo-ethyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-(5-methyl-1-phenyl-4-pyrazolyl)-2-oxoethyl] ester IUPAC Name: [2-(5-methyl-1-phenylpyrazol-4-yl)-2-oxoethyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-keto-2-(5-methyl-1-phenyl-pyrazol-4-yl)ethyl] ester Formula: C19H18N2O4S MolecularWeight: 370.42222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(=O)C2=C(N(N=C2)C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC(=O)C2=C(N(N=C2)C3=CC=CC=C3)C

InChI

InChI=1S/C19H18N2O4S/c1-14-8-10-17(11-9-14)26(23,24)25-13-19(22)18-12-20-21(15(18)2)16-6-4-3-5-7-16/h3-12H,13H2,1-2H3