[2-[2-(4-methylphenyl)carbonylhydrazinyl]-2-oxidanylidene-ethyl] 2-[(4-cyanophenyl)methylsulfanyl]benzoate

Systemtic Name: [2-[2-(4-methylphenyl)carbonylhydrazinyl]-2-oxidanylidene-ethyl] 2-[(4-cyanophenyl)methylsulfanyl]benzoate Openeye Name: [2-[2-(4-methylbenzoyl)hydrazino]-2-oxo-ethyl] 2-[(4-cyanophenyl)methylsulfanyl]benzoate CAS Name: 2-[(4-cyanophenyl)methylthio]benzoic acid [2-[[(4-methylphenyl)-oxomethyl]hydrazo]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-methylbenzoyl)hydrazinyl]-2-oxoethyl] 2-[(4-cyanophenyl)methylsulfanyl]benzoate Traditional Name: 2-[(4-cyanobenzyl)thio]benzoic acid [2-keto-2-(N'-p-toluoylhydrazino)ethyl] ester Formula: C25H21N3O4S MolecularWeight: 459.51694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NNC(=O)COC(=O)C2=CC=CC=C2SCC3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NNC(=O)COC(=O)C2=CC=CC=C2SCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C25H21N3O4S/c1-17-6-12-20(13-7-17)24(30)28-27-23(29)15-32-25(31)21-4-2-3-5-22(21)33-16-19-10-8-18(14-26)9-11-19/h2-13H,15-16H2,1H3,(H,27,29)(H,28,30)