[4-[(E)-[2-(phenylmethylsulfanyl)ethanoylhydrazinylidene]methyl]phenyl] 4-methylbenzenesulfonate

Systemtic Name: [4-[(E)-[2-(phenylmethylsulfanyl)ethanoylhydrazinylidene]methyl]phenyl] 4-methylbenzenesulfonate Openeye Name: [4-[(E)-[(2-benzylsulfanylacetyl)hydrazono]methyl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[(E)-[[1-oxo-2-(phenylmethylthio)ethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [4-[(E)-[(2-benzylsulfanylacetyl)hydrazinylidene]methyl]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-[(E)-[[2-(benzylthio)acetyl]hydrazono]methyl]phenyl] ester Formula: C23H22N2O4S2 MolecularWeight: 454.56178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C=NNC(=O)CSCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)/C=N/NC(=O)CSCC3=CC=CC=C3

InChI

InChI=1S/C23H22N2O4S2/c1-18-7-13-22(14-8-18)31(27,28)29-21-11-9-19(10-12-21)15-24-25-23(26)17-30-16-20-5-3-2-4-6-20/h2-15H,16-17H2,1H3,(H,25,26)/b24-15+