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

Systemtic Name: 2-ethanimidoyl-3-oxidanylidene-4-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-butanenitrile Openeye Name: 2-ethanimidoyl-3-oxo-4-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-butanenitrile CAS Name: 2-(1-iminoethyl)-3-oxo-4-[[2-(trifluoromethyl)-4-quinazolinyl]thio]butanenitrile IUPAC Name: 2-ethanimidoyl-3-oxo-4-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylbutanenitrile Traditional Name: 2-acetimidoyl-3-keto-4-[[2-(trifluoromethyl)quinazolin-4-yl]thio]butyronitrile Formula: C15H11F3N4OS MolecularWeight: 352.33425

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)CSC1=NC(=NC2=CC=CC=C21)C(F)(F)F

Isomeric SMILES

CC(=N)C(C#N)C(=O)CSC1=NC(=NC2=CC=CC=C21)C(F)(F)F

InChI

InChI=1S/C15H11F3N4OS/c1-8(20)10(6-19)12(23)7-24-13-9-4-2-3-5-11(9)21-14(22-13)15(16,17)18/h2-5,10,20H,7H2,1H3