[2-methoxy-4-[(E)-(pyridin-3-ylcarbonylhydrazinylidene)methyl]phenyl] 4-methylbenzenesulfonate

Systemtic Name: [2-methoxy-4-[(E)-(pyridin-3-ylcarbonylhydrazinylidene)methyl]phenyl] 4-methylbenzenesulfonate Openeye Name: [2-methoxy-4-[(E)-(pyridine-3-carbonylhydrazono)methyl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-methoxy-4-[(E)-[[oxo(3-pyridinyl)methyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(E)-(pyridine-3-carbonylhydrazinylidene)methyl]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-methoxy-4-[(E)-(nicotinoylhydrazono)methyl]phenyl] ester Formula: C21H19N3O5S MolecularWeight: 425.45766

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)C=NNC(=O)C3=CN=CC=C3)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)/C=N/NC(=O)C3=CN=CC=C3)OC

InChI

InChI=1S/C21H19N3O5S/c1-15-5-8-18(9-6-15)30(26,27)29-19-10-7-16(12-20(19)28-2)13-23-24-21(25)17-4-3-11-22-14-17/h3-14H,1-2H3,(H,24,25)/b23-13+