N-(5-chloranyl-2-cyano-phenyl)-2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(5-chloranyl-2-cyano-phenyl)-2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: 2-(3-allyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(5-chloro-2-cyano-phenyl)acetamide CAS Name: N-(5-chloro-2-cyanophenyl)-2-[(4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]acetamide IUPAC Name: N-(5-chloro-2-cyanophenyl)-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetamide Traditional Name: 2-[(3-allyl-4-keto-quinazolin-2-yl)thio]-N-(5-chloro-2-cyano-phenyl)acetamide Formula: C20H15ClN4O2S MolecularWeight: 410.8767

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=C(C=CC(=C3)Cl)C#N

Isomeric SMILES

C=CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=C(C=CC(=C3)Cl)C#N

InChI

InChI=1S/C20H15ClN4O2S/c1-2-9-25-19(27)15-5-3-4-6-16(15)24-20(25)28-12-18(26)23-17-10-14(21)8-7-13(17)11-22/h2-8,10H,1,9,12H2,(H,23,26)