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

Systemtic Name: N-(2-cyanoethyl)-N-(2-fluorophenyl)-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)-N-(2-fluorophenyl)acetamide CAS Name: N-(2-cyanoethyl)-N-(2-fluorophenyl)-2-[(4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]acetamide IUPAC Name: N-(2-cyanoethyl)-N-(2-fluorophenyl)-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetamide Traditional Name: 2-[(3-allyl-4-keto-quinazolin-2-yl)thio]-N-(2-cyanoethyl)-N-(2-fluorophenyl)acetamide Formula: C22H19FN4O2S MolecularWeight: 422.475263

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N(CCC#N)C3=CC=CC=C3F

Isomeric SMILES

C=CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N(CCC#N)C3=CC=CC=C3F

InChI

InChI=1S/C22H19FN4O2S/c1-2-13-27-21(29)16-8-3-5-10-18(16)25-22(27)30-15-20(28)26(14-7-12-24)19-11-6-4-9-17(19)23/h2-6,8-11H,1,7,13-15H2