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

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-2-[3-(2-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-2-[3-(o-tolyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(3-chloro-4-fluorophenyl)-2-[[3-(2-methylphenyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-2-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-2-[[4-keto-3-(o-tolyl)quinazolin-2-yl]thio]acetamide Formula: C23H17ClFN3O2S MolecularWeight: 453.916383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC(=C(C=C4)F)Cl

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C23H17ClFN3O2S/c1-14-6-2-5-9-20(14)28-22(30)16-7-3-4-8-19(16)27-23(28)31-13-21(29)26-15-10-11-18(25)17(24)12-15/h2-12H,13H2,1H3,(H,26,29)