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

Systemtic Name: [2-[(Z)-[2-(phenylmethylsulfanyl)ethanoylhydrazinylidene]methyl]phenyl] 4-methylbenzenesulfonate Openeye Name: [2-[(Z)-[(2-benzylsulfanylacetyl)hydrazono]methyl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-[(Z)-[[1-oxo-2-(phenylmethylthio)ethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [2-[(Z)-[(2-benzylsulfanylacetyl)hydrazinylidene]methyl]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-[(Z)-[[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=CC=C2C=NNC(=O)CSCC3=CC=CC=C3

Isomeric SMILES

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

InChI

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