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

Systemtic Name: 2-(3-butyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(5-chloranyl-2-cyano-phenyl)ethanamide Openeye Name: 2-(3-butyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(5-chloro-2-cyano-phenyl)acetamide CAS Name: 2-[(3-butyl-4-oxo-2-quinazolinyl)thio]-N-(5-chloro-2-cyanophenyl)acetamide IUPAC Name: 2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(5-chloro-2-cyanophenyl)acetamide Traditional Name: 2-[(3-butyl-4-keto-quinazolin-2-yl)thio]-N-(5-chloro-2-cyano-phenyl)acetamide Formula: C21H19ClN4O2S MolecularWeight: 426.91916

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=C(C=CC(=C3)Cl)C#N

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=C(C=CC(=C3)Cl)C#N

InChI

InChI=1S/C21H19ClN4O2S/c1-2-3-10-26-20(28)16-6-4-5-7-17(16)25-21(26)29-13-19(27)24-18-11-15(22)9-8-14(18)12-23/h4-9,11H,2-3,10,13H2,1H3,(H,24,27)