4-[3-(4-methylphenyl)-6-oxidanylidene-pyridazin-1-yl]-N-(2-methylsulfanylphenyl)butanamide

Systemtic Name: 4-[3-(4-methylphenyl)-6-oxidanylidene-pyridazin-1-yl]-N-(2-methylsulfanylphenyl)butanamide Openeye Name: N-(2-methylsulfanylphenyl)-4-[6-oxo-3-(p-tolyl)pyridazin-1-yl]butanamide CAS Name: 4-[3-(4-methylphenyl)-6-oxo-1-pyridazinyl]-N-[2-(methylthio)phenyl]butanamide IUPAC Name: 4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(2-methylsulfanylphenyl)butanamide Traditional Name: 4-[6-keto-3-(p-tolyl)pyridazin-1-yl]-N-[2-(methylthio)phenyl]butyramide Formula: C22H23N3O2S MolecularWeight: 393.50192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CCCC(=O)NC3=CC=CC=C3SC

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CCCC(=O)NC3=CC=CC=C3SC

InChI

InChI=1S/C22H23N3O2S/c1-16-9-11-17(12-10-16)18-13-14-22(27)25(24-18)15-5-8-21(26)23-19-6-3-4-7-20(19)28-2/h3-4,6-7,9-14H,5,8,15H2,1-2H3,(H,23,26)