[2-bromanyl-6-ethoxy-4-[(E)-(pyridin-4-ylcarbonylhydrazinylidene)methyl]phenyl] 4-methylbenzenesulfonate

Systemtic Name: [2-bromanyl-6-ethoxy-4-[(E)-(pyridin-4-ylcarbonylhydrazinylidene)methyl]phenyl] 4-methylbenzenesulfonate Openeye Name: [2-bromo-6-ethoxy-4-[(E)-(pyridine-4-carbonylhydrazono)methyl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-bromo-6-ethoxy-4-[(E)-[[oxo(pyridin-4-yl)methyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [2-bromo-6-ethoxy-4-[(E)-(pyridine-4-carbonylhydrazinylidene)methyl]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-bromo-6-ethoxy-4-[(E)-(isonicotinoylhydrazono)methyl]phenyl] ester Formula: C22H20BrN3O5S MolecularWeight: 518.3803

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=NNC(=O)C2=CC=NC=C2)Br)OS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=N/NC(=O)C2=CC=NC=C2)Br)OS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C22H20BrN3O5S/c1-3-30-20-13-16(14-25-26-22(27)17-8-10-24-11-9-17)12-19(23)21(20)31-32(28,29)18-6-4-15(2)5-7-18/h4-14H,3H2,1-2H3,(H,26,27)/b25-14+