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

Systemtic Name: 4-[3-(4-bromophenyl)-6-oxidanylidene-pyridazin-1-yl]-N-(2-methylsulfanylphenyl)butanamide Openeye Name: 4-[3-(4-bromophenyl)-6-oxo-pyridazin-1-yl]-N-(2-methylsulfanylphenyl)butanamide CAS Name: 4-[3-(4-bromophenyl)-6-oxo-1-pyridazinyl]-N-[2-(methylthio)phenyl]butanamide IUPAC Name: 4-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-(2-methylsulfanylphenyl)butanamide Traditional Name: 4-[3-(4-bromophenyl)-6-keto-pyridazin-1-yl]-N-[2-(methylthio)phenyl]butyramide Formula: C21H20BrN3O2S MolecularWeight: 458.3714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20BrN3O2S/c1-28-19-6-3-2-5-18(19)23-20(26)7-4-14-25-21(27)13-12-17(24-25)15-8-10-16(22)11-9-15/h2-3,5-6,8-13H,4,7,14H2,1H3,(H,23,26)