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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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