2-[4-oxidanylidene-3-[2-(trifluoromethyl)phenyl]quinazolin-2-yl]sulfanylethanenitrile

Systemtic Name: 2-[4-oxidanylidene-3-[2-(trifluoromethyl)phenyl]quinazolin-2-yl]sulfanylethanenitrile Openeye Name: 2-[4-oxo-3-[2-(trifluoromethyl)phenyl]quinazolin-2-yl]sulfanylacetonitrile CAS Name: 2-[[4-oxo-3-[2-(trifluoromethyl)phenyl]-2-quinazolinyl]thio]acetonitrile IUPAC Name: 2-[4-oxo-3-[2-(trifluoromethyl)phenyl]quinazolin-2-yl]sulfanylacetonitrile Traditional Name: 2-[[4-keto-3-[2-(trifluoromethyl)phenyl]quinazolin-2-yl]thio]acetonitrile Formula: C17H10F3N3OS MolecularWeight: 361.34101

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC#N)C3=CC=CC=C3C(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC#N)C3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C17H10F3N3OS/c18-17(19,20)12-6-2-4-8-14(12)23-15(24)11-5-1-3-7-13(11)22-16(23)25-10-9-21/h1-8H,10H2