[2-methoxy-4-[(Z)-(pyridin-3-ylcarbonylhydrazinylidene)methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [2-methoxy-4-[(Z)-(pyridin-3-ylcarbonylhydrazinylidene)methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [2-methoxy-4-[(Z)-(pyridine-3-carbonylhydrazono)methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [2-methoxy-4-[(Z)-[[oxo(3-pyridinyl)methyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(Z)-(pyridine-3-carbonylhydrazinylidene)methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [2-methoxy-4-[(Z)-(nicotinoylhydrazono)methyl]phenyl] ester Formula: C20H16FN3O5S MolecularWeight: 429.421543

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=NNC(=O)C2=CN=CC=C2)OS(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

COC1=C(C=CC(=C1)/C=N\NC(=O)C2=CN=CC=C2)OS(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H16FN3O5S/c1-28-19-11-14(12-23-24-20(25)15-3-2-10-22-13-15)4-9-18(19)29-30(26,27)17-7-5-16(21)6-8-17/h2-13H,1H3,(H,24,25)/b23-12-