[4-bromanyl-2-[(E)-[(3-chlorophenyl)carbonylhydrazinylidene]methyl]phenyl] 4-methylbenzenesulfonate

Systemtic Name: [4-bromanyl-2-[(E)-[(3-chlorophenyl)carbonylhydrazinylidene]methyl]phenyl] 4-methylbenzenesulfonate Openeye Name: [4-bromo-2-[(E)-[(3-chlorobenzoyl)hydrazono]methyl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-bromo-2-[(E)-[[(3-chlorophenyl)-oxomethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [4-bromo-2-[(E)-[(3-chlorobenzoyl)hydrazinylidene]methyl]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-bromo-2-[(E)-[(3-chlorobenzoyl)hydrazono]methyl]phenyl] ester Formula: C21H16BrClN2O4S MolecularWeight: 507.78474

Click to see the large picture

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=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H16BrClN2O4S/c1-14-5-8-19(9-6-14)30(27,28)29-20-10-7-17(22)11-16(20)13-24-25-21(26)15-3-2-4-18(23)12-15/h2-13H,1H3,(H,25,26)/b24-13+