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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=C(C=CC(=C4)Cl)C#N

Isomeric SMILES

C1CC1N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=C(C=CC(=C4)Cl)C#N

InChI

InChI=1S/C20H15ClN4O2S/c21-13-6-5-12(10-22)17(9-13)23-18(26)11-28-20-24-16-4-2-1-3-15(16)19(27)25(20)14-7-8-14/h1-6,9,14H,7-8,11H2,(H,23,26)