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

Systemtic Name: N-(2-nitrophenyl)-2-(4-oxidanylidene-3-phenyl-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(2-nitrophenyl)-2-(4-oxo-3-phenyl-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-(2-nitrophenyl)-2-[(4-oxo-3-phenyl-2-quinazolinyl)thio]acetamide IUPAC Name: N-(2-nitrophenyl)-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide Traditional Name: 2-[(4-keto-3-phenyl-quinazolin-2-yl)thio]-N-(2-nitrophenyl)acetamide Formula: C22H16N4O4S MolecularWeight: 432.45184

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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=CC=C4[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C22H16N4O4S/c27-20(23-18-12-6-7-13-19(18)26(29)30)14-31-22-24-17-11-5-4-10-16(17)21(28)25(22)15-8-2-1-3-9-15/h1-13H,14H2,(H,23,27)