N-(4-bromanyl-2-fluoranyl-phenyl)-2-[4-oxidanylidene-3-(pyridin-4-ylmethyl)quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(4-bromanyl-2-fluoranyl-phenyl)-2-[4-oxidanylidene-3-(pyridin-4-ylmethyl)quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(4-bromo-2-fluoro-phenyl)-2-[4-oxo-3-(4-pyridylmethyl)quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(4-bromo-2-fluorophenyl)-2-[[4-oxo-3-(pyridin-4-ylmethyl)-2-quinazolinyl]thio]acetamide IUPAC Name: N-(4-bromo-2-fluorophenyl)-2-[4-oxo-3-(pyridin-4-ylmethyl)quinazolin-2-yl]sulfanylacetamide Traditional Name: N-(4-bromo-2-fluoro-phenyl)-2-[[4-keto-3-(4-pyridylmethyl)quinazolin-2-yl]thio]acetamide Formula: C22H16BrFN4O2S MolecularWeight: 499.355443

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC(=O)NC3=C(C=C(C=C3)Br)F)CC4=CC=NC=C4

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC(=O)NC3=C(C=C(C=C3)Br)F)CC4=CC=NC=C4

InChI

InChI=1S/C22H16BrFN4O2S/c23-15-5-6-19(17(24)11-15)26-20(29)13-31-22-27-18-4-2-1-3-16(18)21(30)28(22)12-14-7-9-25-10-8-14/h1-11H,12-13H2,(H,26,29)