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

Systemtic Name: N-(2-methyl-6-nitro-phenyl)-4-(6-oxidanylidene-3-thiophen-2-yl-pyridazin-1-yl)butanamide Openeye Name: N-(2-methyl-6-nitro-phenyl)-4-[6-oxo-3-(2-thienyl)pyridazin-1-yl]butanamide CAS Name: N-(2-methyl-6-nitrophenyl)-4-(6-oxo-3-thiophen-2-yl-1-pyridazinyl)butanamide IUPAC Name: N-(2-methyl-6-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-6-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/c1-13-5-2-6-15(23(26)27)19(13)20-17(24)8-3-11-22-18(25)10-9-14(21-22)16-7-4-12-28-16/h2,4-7,9-10,12H,3,8,11H2,1H3,(H,20,24)