3-[[7-(4-methylsulfanylphenyl)carbonyl-1-benzofuran-5-yl]methyl]-1H-pyridazin-6-one

Systemtic Name: 3-[[7-(4-methylsulfanylphenyl)carbonyl-1-benzofuran-5-yl]methyl]-1H-pyridazin-6-one Openeye Name: 3-[[7-(4-methylsulfanylbenzoyl)benzofuran-5-yl]methyl]-1H-pyridazin-6-one CAS Name: 3-[[7-[[4-(methylthio)phenyl]-oxomethyl]-5-benzofuranyl]methyl]-1H-pyridazin-6-one IUPAC Name: 3-[[7-(4-methylsulfanylbenzoyl)-1-benzofuran-5-yl]methyl]-1H-pyridazin-6-one Traditional Name: 3-[[7-[4-(methylthio)benzoyl]benzofuran-5-yl]methyl]-1H-pyridazin-6-one Formula: C21H16N2O3S MolecularWeight: 376.42834

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(=O)C2=C3C(=CC(=C2)CC4=NNC(=O)C=C4)C=CO3

Isomeric SMILES

CSC1=CC=C(C=C1)C(=O)C2=C3C(=CC(=C2)CC4=NNC(=O)C=C4)C=CO3

InChI

InChI=1S/C21H16N2O3S/c1-27-17-5-2-14(3-6-17)20(25)18-12-13(10-15-8-9-26-21(15)18)11-16-4-7-19(24)23-22-16/h2-10,12H,11H2,1H3,(H,23,24)