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

Systemtic Name: N-(4-nitro-2-oxidanyl-phenyl)-2-(4-oxidanylidene-3-phenyl-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(2-hydroxy-4-nitro-phenyl)-2-(4-oxo-3-phenyl-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-(2-hydroxy-4-nitrophenyl)-2-[(4-oxo-3-phenyl-2-quinazolinyl)thio]acetamide IUPAC Name: N-(2-hydroxy-4-nitrophenyl)-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide Traditional Name: N-(2-hydroxy-4-nitro-phenyl)-2-[(4-keto-3-phenyl-quinazolin-2-yl)thio]acetamide Formula: C22H16N4O5S MolecularWeight: 448.45124

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H16N4O5S/c27-19-12-15(26(30)31)10-11-18(19)23-20(28)13-32-22-24-17-9-5-4-8-16(17)21(29)25(22)14-6-2-1-3-7-14/h1-12,27H,13H2,(H,23,28)