2-ethanimidoyl-3-oxidanylidene-4-[3-(trifluoromethyl)phenyl]sulfanyl-butanenitrile

Systemtic Name: 2-ethanimidoyl-3-oxidanylidene-4-[3-(trifluoromethyl)phenyl]sulfanyl-butanenitrile Openeye Name: 2-ethanimidoyl-3-oxo-4-[3-(trifluoromethyl)phenyl]sulfanyl-butanenitrile CAS Name: 2-(1-iminoethyl)-3-oxo-4-[[3-(trifluoromethyl)phenyl]thio]butanenitrile IUPAC Name: 2-ethanimidoyl-3-oxo-4-[3-(trifluoromethyl)phenyl]sulfanylbutanenitrile Traditional Name: 2-acetimidoyl-3-keto-4-[[3-(trifluoromethyl)phenyl]thio]butyronitrile Formula: C13H11F3N2OS MolecularWeight: 300.29945

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)CSC1=CC=CC(=C1)C(F)(F)F

Isomeric SMILES

CC(=N)C(C#N)C(=O)CSC1=CC=CC(=C1)C(F)(F)F

InChI

InChI=1S/C13H11F3N2OS/c1-8(18)11(6-17)12(19)7-20-10-4-2-3-9(5-10)13(14,15)16/h2-5,11,18H,7H2,1H3