N-(2-cyanoethyl)-2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(2-cyanoethyl)-2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: 2-(3-allyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(2-cyanoethyl)acetamide CAS Name: N-(2-cyanoethyl)-2-[(4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]acetamide IUPAC Name: N-(2-cyanoethyl)-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetamide Traditional Name: 2-[(3-allyl-4-keto-quinazolin-2-yl)thio]-N-(2-cyanoethyl)acetamide Formula: C16H16N4O2S MolecularWeight: 328.38884

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NCCC#N

Isomeric SMILES

C=CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NCCC#N

InChI

InChI=1S/C16H16N4O2S/c1-2-10-20-15(22)12-6-3-4-7-13(12)19-16(20)23-11-14(21)18-9-5-8-17/h2-4,6-7H,1,5,9-11H2,(H,18,21)