(2Z)-3-oxidanylidene-2-[sulfanyl-[[4-(trifluoromethyl)phenyl]amino]methylidene]butanenitrile; sodium

Systemtic Name: (2Z)-3-oxidanylidene-2-[sulfanyl-[[4-(trifluoromethyl)phenyl]amino]methylidene]butanenitrile; sodium Openeye Name: (2Z)-3-oxo-2-[sulfanyl-[4-(trifluoromethyl)anilino]methylene]butanenitrile; sodium CAS Name: (2Z)-2-[mercapto-[4-(trifluoromethyl)anilino]methylidene]-3-oxobutanenitrile; sodium IUPAC Name: (2Z)-3-oxo-2-[sulfanyl-[4-(trifluoromethyl)anilino]methylidene]butanenitrile; sodium Traditional Name: (Z)-2-acetyl-3-mercapto-3-[4-(trifluoromethyl)anilino]acrylonitrile; sodium Formula: C12H9F3N2NaOS MolecularWeight: 309.26264

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=C(NC1=CC=C(C=C1)C(F)(F)F)S)C#N.[Na]

Isomeric SMILES

CC(=O)/C(=C(/NC1=CC=C(C=C1)C(F)(F)F)\S)/C#N.[Na]

InChI

InChI=1S/C12H9F3N2OS.Na/c1-7(18)10(6-16)11(19)17-9-4-2-8(3-5-9)12(13,14)15;/h2-5,17,19H,1H3;/b11-10-;