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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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