2-(7-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-N-(2-cyanoethyl)-N-phenyl-ethanamide

Systemtic Name: 2-(7-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-N-(2-cyanoethyl)-N-phenyl-ethanamide Openeye Name: 2-(3-allyl-7-chloro-4-oxo-quinazolin-2-yl)sulfanyl-N-(2-cyanoethyl)-N-phenyl-acetamide CAS Name: 2-[(7-chloro-4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]-N-(2-cyanoethyl)-N-phenylacetamide IUPAC Name: 2-(7-chloro-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanyl-N-(2-cyanoethyl)-N-phenylacetamide Traditional Name: 2-[(3-allyl-7-chloro-4-keto-quinazolin-2-yl)thio]-N-(2-cyanoethyl)-N-phenyl-acetamide Formula: C22H19ClN4O2S MolecularWeight: 438.92986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19ClN4O2S/c1-2-12-27-21(29)18-10-9-16(23)14-19(18)25-22(27)30-15-20(28)26(13-6-11-24)17-7-4-3-5-8-17/h2-5,7-10,14H,1,6,12-13,15H2