2-(7-nitro-4-oxidanylidene-quinazolin-3-yl)-N-(2-phenylsulfanylphenyl)ethanamide

Systemtic Name: 2-(7-nitro-4-oxidanylidene-quinazolin-3-yl)-N-(2-phenylsulfanylphenyl)ethanamide Openeye Name: 2-(7-nitro-4-oxo-quinazolin-3-yl)-N-(2-phenylsulfanylphenyl)acetamide CAS Name: 2-(7-nitro-4-oxo-3-quinazolinyl)-N-[2-(phenylthio)phenyl]acetamide IUPAC Name: 2-(7-nitro-4-oxoquinazolin-3-yl)-N-(2-phenylsulfanylphenyl)acetamide Traditional Name: 2-(4-keto-7-nitro-quinazolin-3-yl)-N-[2-(phenylthio)phenyl]acetamide Formula: C22H16N4O4S MolecularWeight: 432.45184

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=CC=CC=C2NC(=O)CN3C=NC4=C(C3=O)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)SC2=CC=CC=C2NC(=O)CN3C=NC4=C(C3=O)C=CC(=C4)[N+](=O)[O-]

InChI

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