2-(6-bromanyl-4-oxidanylidene-3-phenyl-quinazolin-2-yl)sulfanyl-N-(3-nitrophenyl)ethanamide

Systemtic Name: 2-(6-bromanyl-4-oxidanylidene-3-phenyl-quinazolin-2-yl)sulfanyl-N-(3-nitrophenyl)ethanamide Openeye Name: 2-(6-bromo-4-oxo-3-phenyl-quinazolin-2-yl)sulfanyl-N-(3-nitrophenyl)acetamide CAS Name: 2-[(6-bromo-4-oxo-3-phenyl-2-quinazolinyl)thio]-N-(3-nitrophenyl)acetamide IUPAC Name: 2-(6-bromo-4-oxo-3-phenylquinazolin-2-yl)sulfanyl-N-(3-nitrophenyl)acetamide Traditional Name: 2-[(6-bromo-4-keto-3-phenyl-quinazolin-2-yl)thio]-N-(3-nitrophenyl)acetamide Formula: C22H15BrN4O4S MolecularWeight: 511.3479

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H15BrN4O4S/c23-14-9-10-19-18(11-14)21(29)26(16-6-2-1-3-7-16)22(25-19)32-13-20(28)24-15-5-4-8-17(12-15)27(30)31/h1-12H,13H2,(H,24,28)