N-(5-chloranyl-2-fluoranyl-phenyl)-2-[3-(4-methylpyridin-2-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(5-chloranyl-2-fluoranyl-phenyl)-2-[3-(4-methylpyridin-2-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(5-chloro-2-fluoro-phenyl)-2-[3-(4-methyl-2-pyridyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(5-chloro-2-fluorophenyl)-2-[[3-(4-methyl-2-pyridinyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(5-chloro-2-fluorophenyl)-2-[3-(4-methylpyridin-2-yl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(5-chloro-2-fluoro-phenyl)-2-[[4-keto-3-(4-methyl-2-pyridyl)quinazolin-2-yl]thio]acetamide Formula: C22H16ClFN4O2S MolecularWeight: 454.904443

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=C(C=CC(=C4)Cl)F

Isomeric SMILES

CC1=CC(=NC=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=C(C=CC(=C4)Cl)F

InChI

InChI=1S/C22H16ClFN4O2S/c1-13-8-9-25-19(10-13)28-21(30)15-4-2-3-5-17(15)27-22(28)31-12-20(29)26-18-11-14(23)6-7-16(18)24/h2-11H,12H2,1H3,(H,26,29)