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

Systemtic Name: 2-[3-(3-ethoxypropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanenitrile Openeye Name: 2-[3-(3-ethoxypropyl)-4-oxo-quinazolin-2-yl]sulfanylacetonitrile CAS Name: 2-[[3-(3-ethoxypropyl)-4-oxo-2-quinazolinyl]thio]acetonitrile IUPAC Name: 2-[3-(3-ethoxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetonitrile Traditional Name: 2-[[3-(3-ethoxypropyl)-4-keto-quinazolin-2-yl]thio]acetonitrile Formula: C15H17N3O2S MolecularWeight: 303.37938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOCCCN1C(=O)C2=CC=CC=C2N=C1SCC#N

Isomeric SMILES

CCOCCCN1C(=O)C2=CC=CC=C2N=C1SCC#N

InChI

InChI=1S/C15H17N3O2S/c1-2-20-10-5-9-18-14(19)12-6-3-4-7-13(12)17-15(18)21-11-8-16/h3-4,6-7H,2,5,9-11H2,1H3