[4-[(E)-[(4-chloranyl-1-methyl-pyrazol-3-yl)carbonylhydrazinylidene]methyl]phenyl] 4-methylbenzenesulfonate

Systemtic Name: [4-[(E)-[(4-chloranyl-1-methyl-pyrazol-3-yl)carbonylhydrazinylidene]methyl]phenyl] 4-methylbenzenesulfonate Openeye Name: [4-[(E)-[(4-chloro-1-methyl-pyrazole-3-carbonyl)hydrazono]methyl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[(E)-[[(4-chloro-1-methyl-3-pyrazolyl)-oxomethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [4-[(E)-[(4-chloro-1-methylpyrazole-3-carbonyl)hydrazinylidene]methyl]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-[(E)-[(4-chloro-1-methyl-pyrazole-3-carbonyl)hydrazono]methyl]phenyl] ester Formula: C19H17ClN4O4S MolecularWeight: 432.88068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C=NNC(=O)C3=NN(C=C3Cl)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)/C=N/NC(=O)C3=NN(C=C3Cl)C

InChI

InChI=1S/C19H17ClN4O4S/c1-13-3-9-16(10-4-13)29(26,27)28-15-7-5-14(6-8-15)11-21-22-19(25)18-17(20)12-24(2)23-18/h3-12H,1-2H3,(H,22,25)/b21-11+