[4-bromanyl-2-[(E)-[(2-pyrrol-1-ylphenyl)carbonylhydrazinylidene]methyl]phenyl] 4-methylbenzenesulfonate

Systemtic Name: [4-bromanyl-2-[(E)-[(2-pyrrol-1-ylphenyl)carbonylhydrazinylidene]methyl]phenyl] 4-methylbenzenesulfonate Openeye Name: [4-bromo-2-[(E)-[(2-pyrrol-1-ylbenzoyl)hydrazono]methyl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-bromo-2-[(E)-[[oxo-[2-(1-pyrrolyl)phenyl]methyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [4-bromo-2-[(E)-[(2-pyrrol-1-ylbenzoyl)hydrazinylidene]methyl]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-bromo-2-[(E)-[(2-pyrrol-1-ylbenzoyl)hydrazono]methyl]phenyl] ester Formula: C25H20BrN3O4S MolecularWeight: 538.413

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)Br)C=NNC(=O)C3=CC=CC=C3N4C=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)Br)/C=N/NC(=O)C3=CC=CC=C3N4C=CC=C4

InChI

InChI=1S/C25H20BrN3O4S/c1-18-8-11-21(12-9-18)34(31,32)33-24-13-10-20(26)16-19(24)17-27-28-25(30)22-6-2-3-7-23(22)29-14-4-5-15-29/h2-17H,1H3,(H,28,30)/b27-17+