2-(6-bromanyl-3-ethyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(4-methyl-3-nitro-phenyl)ethanamide

Systemtic Name: 2-(6-bromanyl-3-ethyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(4-methyl-3-nitro-phenyl)ethanamide Openeye Name: 2-(6-bromo-3-ethyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(4-methyl-3-nitro-phenyl)acetamide CAS Name: 2-[(6-bromo-3-ethyl-4-oxo-2-quinazolinyl)thio]-N-(4-methyl-3-nitrophenyl)acetamide IUPAC Name: 2-(6-bromo-3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-methyl-3-nitrophenyl)acetamide Traditional Name: 2-[(6-bromo-3-ethyl-4-keto-quinazolin-2-yl)thio]-N-(4-methyl-3-nitro-phenyl)acetamide Formula: C19H17BrN4O4S MolecularWeight: 477.33168

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC(=O)NC3=CC(=C(C=C3)C)[N+](=O)[O-]

Isomeric SMILES

CCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC(=O)NC3=CC(=C(C=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C19H17BrN4O4S/c1-3-23-18(26)14-8-12(20)5-7-15(14)22-19(23)29-10-17(25)21-13-6-4-11(2)16(9-13)24(27)28/h4-9H,3,10H2,1-2H3,(H,21,25)