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

Systemtic Name: [4-[(E)-[(4-chloranyl-1-methyl-pyrazol-3-yl)carbonylhydrazinylidene]methyl]phenyl] benzenesulfonate Openeye Name: [4-[(E)-[(4-chloro-1-methyl-pyrazole-3-carbonyl)hydrazono]methyl]phenyl] benzenesulfonate CAS Name: benzenesulfonic 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] benzenesulfonate Traditional Name: benzenesulfonic acid [4-[(E)-[(4-chloro-1-methyl-pyrazole-3-carbonyl)hydrazono]methyl]phenyl] ester Formula: C18H15ClN4O4S MolecularWeight: 418.8541

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C(=O)NN=CC2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC=C3)Cl

Isomeric SMILES

CN1C=C(C(=N1)C(=O)N/N=C/C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC=C3)Cl

InChI

InChI=1S/C18H15ClN4O4S/c1-23-12-16(19)17(22-23)18(24)21-20-11-13-7-9-14(10-8-13)27-28(25,26)15-5-3-2-4-6-15/h2-12H,1H3,(H,21,24)/b20-11+