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

Systemtic Name: 2-[3-(2-methoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanenitrile Openeye Name: 2-[3-(2-methoxyphenyl)-4-oxo-quinazolin-2-yl]sulfanylacetonitrile CAS Name: 2-[[3-(2-methoxyphenyl)-4-oxo-2-quinazolinyl]thio]acetonitrile IUPAC Name: 2-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetonitrile Traditional Name: 2-[[4-keto-3-(2-methoxyphenyl)quinazolin-2-yl]thio]acetonitrile Formula: C17H13N3O2S MolecularWeight: 323.36902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SCC#N

Isomeric SMILES

COC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SCC#N

InChI

InChI=1S/C17H13N3O2S/c1-22-15-9-5-4-8-14(15)20-16(21)12-6-2-3-7-13(12)19-17(20)23-11-10-18/h2-9H,11H2,1H3