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

Systemtic Name: N-(2-methyl-4-nitro-phenyl)-4-(6-oxidanylidene-3-thiophen-2-yl-pyridazin-1-yl)butanamide Openeye Name: N-(2-methyl-4-nitro-phenyl)-4-[6-oxo-3-(2-thienyl)pyridazin-1-yl]butanamide CAS Name: N-(2-methyl-4-nitrophenyl)-4-(6-oxo-3-thiophen-2-yl-1-pyridazinyl)butanamide IUPAC Name: N-(2-methyl-4-nitrophenyl)-4-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)butanamide Traditional Name: 4-[6-keto-3-(2-thienyl)pyridazin-1-yl]-N-(2-methyl-4-nitro-phenyl)butyramide Formula: C19H18N4O4S MolecularWeight: 398.43562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CCCN2C(=O)C=CC(=N2)C3=CC=CS3

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CCCN2C(=O)C=CC(=N2)C3=CC=CS3

InChI

InChI=1S/C19H18N4O4S/c1-13-12-14(23(26)27)6-7-15(13)20-18(24)5-2-10-22-19(25)9-8-16(21-22)17-4-3-11-28-17/h3-4,6-9,11-12H,2,5,10H2,1H3,(H,20,24)