2-[5-(4,5-dimethoxy-2-nitro-phenyl)-2-oxidanylidene-1,3,4-oxadiazol-3-yl]-N-(2-methylsulfanylquinazolin-4-yl)ethanamide

Systemtic Name: 2-[5-(4,5-dimethoxy-2-nitro-phenyl)-2-oxidanylidene-1,3,4-oxadiazol-3-yl]-N-(2-methylsulfanylquinazolin-4-yl)ethanamide Openeye Name: 2-[5-(4,5-dimethoxy-2-nitro-phenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-(2-methylsulfanylquinazolin-4-yl)acetamide CAS Name: 2-[5-(4,5-dimethoxy-2-nitrophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-[2-(methylthio)-4-quinazolinyl]acetamide IUPAC Name: 2-[5-(4,5-dimethoxy-2-nitrophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-(2-methylsulfanylquinazolin-4-yl)acetamide Traditional Name: 2-[5-(4,5-dimethoxy-2-nitro-phenyl)-2-keto-1,3,4-oxadiazol-3-yl]-N-[2-(methylthio)quinazolin-4-yl]acetamide Formula: C21H18N6O7S MolecularWeight: 498.46862

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C2=NN(C(=O)O2)CC(=O)NC3=NC(=NC4=CC=CC=C43)SC)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C2=NN(C(=O)O2)CC(=O)NC3=NC(=NC4=CC=CC=C43)SC)[N+](=O)[O-])OC

InChI

InChI=1S/C21H18N6O7S/c1-32-15-8-12(14(27(30)31)9-16(15)33-2)19-25-26(21(29)34-19)10-17(28)23-18-11-6-4-5-7-13(11)22-20(24-18)35-3/h4-9H,10H2,1-3H3,(H,22,23,24,28)