[2-[(E)-[(4-chloranyl-2-methyl-pyrazol-3-yl)carbonylhydrazinylidene]methyl]phenyl] 4-methylbenzenesulfonate

Systemtic Name: [2-[(E)-[(4-chloranyl-2-methyl-pyrazol-3-yl)carbonylhydrazinylidene]methyl]phenyl] 4-methylbenzenesulfonate Openeye Name: [2-[(E)-[(4-chloro-2-methyl-pyrazole-3-carbonyl)hydrazono]methyl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-[(E)-[[(4-chloro-2-methyl-3-pyrazolyl)-oxomethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [2-[(E)-[(4-chloro-2-methylpyrazole-3-carbonyl)hydrazinylidene]methyl]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-[(E)-[(4-chloro-2-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=CC=C2C=NNC(=O)C3=C(C=NN3C)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2/C=N/NC(=O)C3=C(C=NN3C)Cl

InChI

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