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

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-2-[3-(4-methoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-2-[3-(4-methoxyphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(3-chloro-4-fluorophenyl)-2-[[3-(4-methoxyphenyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-2-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-2-[[4-keto-3-(4-methoxyphenyl)quinazolin-2-yl]thio]acetamide Formula: C23H17ClFN3O3S MolecularWeight: 469.915783

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC(=C(C=C4)F)Cl

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C23H17ClFN3O3S/c1-31-16-9-7-15(8-10-16)28-22(30)17-4-2-3-5-20(17)27-23(28)32-13-21(29)26-14-6-11-19(25)18(24)12-14/h2-12H,13H2,1H3,(H,26,29)