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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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