(2E)-2-[(4-methylphenyl)sulfanyl-oxidanyl-methylidene]-3-oxidanylidene-butanenitrile

Systemtic Name: (2E)-2-[(4-methylphenyl)sulfanyl-oxidanyl-methylidene]-3-oxidanylidene-butanenitrile Openeye Name: (2E)-2-[hydroxy(p-tolylsulfanyl)methylene]-3-oxo-butanenitrile CAS Name: (2E)-2-[hydroxy-[(4-methylphenyl)thio]methylidene]-3-oxobutanenitrile IUPAC Name: (2E)-2-[hydroxy-(4-methylphenyl)sulfanylmethylidene]-3-oxobutanenitrile Traditional Name: (E)-2-acetyl-3-hydroxy-3-(p-tolylthio)acrylonitrile Formula: C12H11NO2S MolecularWeight: 233.28624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC(=C(C#N)C(=O)C)O

Isomeric SMILES

CC1=CC=C(C=C1)S/C(=C(\C#N)/C(=O)C)/O

InChI

InChI=1S/C12H11NO2S/c1-8-3-5-10(6-4-8)16-12(15)11(7-13)9(2)14/h3-6,15H,1-2H3/b12-11+