(2Z)-3-oxidanylidene-2-[oxidanyl-[4-(trifluoromethyl)phenyl]sulfanyl-methylidene]butanenitrile

Systemtic Name: (2Z)-3-oxidanylidene-2-[oxidanyl-[4-(trifluoromethyl)phenyl]sulfanyl-methylidene]butanenitrile Openeye Name: (2Z)-2-[hydroxy-[4-(trifluoromethyl)phenyl]sulfanyl-methylene]-3-oxo-butanenitrile CAS Name: (2Z)-2-[hydroxy-[[4-(trifluoromethyl)phenyl]thio]methylidene]-3-oxobutanenitrile IUPAC Name: (2Z)-2-[hydroxy-[4-(trifluoromethyl)phenyl]sulfanylmethylidene]-3-oxobutanenitrile Traditional Name: (Z)-2-acetyl-3-hydroxy-3-[[4-(trifluoromethyl)phenyl]thio]acrylonitrile Formula: C12H8F3NO2S MolecularWeight: 287.25763

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=C(O)SC1=CC=C(C=C1)C(F)(F)F)C#N

Isomeric SMILES

CC(=O)/C(=C(/O)\SC1=CC=C(C=C1)C(F)(F)F)/C#N

InChI

InChI=1S/C12H8F3NO2S/c1-7(17)10(6-16)11(18)19-9-4-2-8(3-5-9)12(13,14)15/h2-5,18H,1H3/b11-10-