4-ethanoyl-2-(methylsulfanylmethyl)-5,6-diphenyl-pyridazin-3-one

Systemtic Name: 4-ethanoyl-2-(methylsulfanylmethyl)-5,6-diphenyl-pyridazin-3-one Openeye Name: 4-acetyl-2-(methylsulfanylmethyl)-5,6-diphenyl-pyridazin-3-one CAS Name: 4-acetyl-2-[(methylthio)methyl]-5,6-diphenyl-3-pyridazinone IUPAC Name: 4-acetyl-2-(methylsulfanylmethyl)-5,6-diphenylpyridazin-3-one Traditional Name: 4-acetyl-2-[(methylthio)methyl]-5,6-diphenyl-pyridazin-3-one Formula: C20H18N2O2S MolecularWeight: 350.43412

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C(=NN(C1=O)CSC)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC(=O)C1=C(C(=NN(C1=O)CSC)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C20H18N2O2S/c1-14(23)17-18(15-9-5-3-6-10-15)19(16-11-7-4-8-12-16)21-22(13-25-2)20(17)24/h3-12H,13H2,1-2H3