N-(4-fluoranyl-3-nitro-phenyl)-2-(4-oxidanylidene-3-phenyl-quinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(4-fluoranyl-3-nitro-phenyl)-2-(4-oxidanylidene-3-phenyl-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(4-fluoro-3-nitro-phenyl)-2-(4-oxo-3-phenyl-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-(4-fluoro-3-nitrophenyl)-2-[(4-oxo-3-phenyl-2-quinazolinyl)thio]acetamide IUPAC Name: N-(4-fluoro-3-nitrophenyl)-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide Traditional Name: N-(4-fluoro-3-nitro-phenyl)-2-[(4-keto-3-phenyl-quinazolin-2-yl)thio]acetamide Formula: C22H15FN4O4S MolecularWeight: 450.442303

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC(=C(C=C4)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC(=C(C=C4)F)[N+](=O)[O-]

InChI

InChI=1S/C22H15FN4O4S/c23-17-11-10-14(12-19(17)27(30)31)24-20(28)13-32-22-25-18-9-5-4-8-16(18)21(29)26(22)15-6-2-1-3-7-15/h1-12H,13H2,(H,24,28)