N-(2-methoxy-5-nitro-phenyl)-4-(6-oxidanylidene-3-thiophen-2-yl-pyridazin-1-yl)butanamide

Systemtic Name: N-(2-methoxy-5-nitro-phenyl)-4-(6-oxidanylidene-3-thiophen-2-yl-pyridazin-1-yl)butanamide Openeye Name: N-(2-methoxy-5-nitro-phenyl)-4-[6-oxo-3-(2-thienyl)pyridazin-1-yl]butanamide CAS Name: N-(2-methoxy-5-nitrophenyl)-4-(6-oxo-3-thiophen-2-yl-1-pyridazinyl)butanamide IUPAC Name: N-(2-methoxy-5-nitrophenyl)-4-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)butanamide Traditional Name: 4-[6-keto-3-(2-thienyl)pyridazin-1-yl]-N-(2-methoxy-5-nitro-phenyl)butyramide Formula: C19H18N4O5S MolecularWeight: 414.43502

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CCCN2C(=O)C=CC(=N2)C3=CC=CS3

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CCCN2C(=O)C=CC(=N2)C3=CC=CS3

InChI

InChI=1S/C19H18N4O5S/c1-28-16-8-6-13(23(26)27)12-15(16)20-18(24)5-2-10-22-19(25)9-7-14(21-22)17-4-3-11-29-17/h3-4,6-9,11-12H,2,5,10H2,1H3,(H,20,24)