2-[3-(2,2-diethoxyethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanenitrile

Systemtic Name: 2-[3-(2,2-diethoxyethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanenitrile Openeye Name: 2-[3-(2,2-diethoxyethyl)-4-oxo-quinazolin-2-yl]sulfanylacetonitrile CAS Name: 2-[[3-(2,2-diethoxyethyl)-4-oxo-2-quinazolinyl]thio]acetonitrile IUPAC Name: 2-[3-(2,2-diethoxyethyl)-4-oxoquinazolin-2-yl]sulfanylacetonitrile Traditional Name: 2-[[3-(2,2-diethoxyethyl)-4-keto-quinazolin-2-yl]thio]acetonitrile Formula: C16H19N3O3S MolecularWeight: 333.40536

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(CN1C(=O)C2=CC=CC=C2N=C1SCC#N)OCC

Isomeric SMILES

CCOC(CN1C(=O)C2=CC=CC=C2N=C1SCC#N)OCC

InChI

InChI=1S/C16H19N3O3S/c1-3-21-14(22-4-2)11-19-15(20)12-7-5-6-8-13(12)18-16(19)23-10-9-17/h5-8,14H,3-4,10-11H2,1-2H3