N-(2-methylsulfanylphenyl)-4-(6-oxidanylidene-3-phenyl-pyridazin-1-yl)butanamide

Systemtic Name: N-(2-methylsulfanylphenyl)-4-(6-oxidanylidene-3-phenyl-pyridazin-1-yl)butanamide Openeye Name: N-(2-methylsulfanylphenyl)-4-(6-oxo-3-phenyl-pyridazin-1-yl)butanamide CAS Name: N-[2-(methylthio)phenyl]-4-(6-oxo-3-phenyl-1-pyridazinyl)butanamide IUPAC Name: N-(2-methylsulfanylphenyl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide Traditional Name: 4-(6-keto-3-phenyl-pyridazin-1-yl)-N-[2-(methylthio)phenyl]butyramide Formula: C21H21N3O2S MolecularWeight: 379.47534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1NC(=O)CCCN2C(=O)C=CC(=N2)C3=CC=CC=C3

Isomeric SMILES

CSC1=CC=CC=C1NC(=O)CCCN2C(=O)C=CC(=N2)C3=CC=CC=C3

InChI

InChI=1S/C21H21N3O2S/c1-27-19-11-6-5-10-18(19)22-20(25)12-7-15-24-21(26)14-13-17(23-24)16-8-3-2-4-9-16/h2-6,8-11,13-14H,7,12,15H2,1H3,(H,22,25)