2-(3-chlorophenyl)-5-(4-methylsulfonylphenyl)-4-pyridin-2-ylsulfanyl-pyridazin-3-one

Systemtic Name: 2-(3-chlorophenyl)-5-(4-methylsulfonylphenyl)-4-pyridin-2-ylsulfanyl-pyridazin-3-one Openeye Name: 2-(3-chlorophenyl)-5-(4-methylsulfonylphenyl)-4-(2-pyridylsulfanyl)pyridazin-3-one CAS Name: 2-(3-chlorophenyl)-5-(4-methylsulfonylphenyl)-4-(2-pyridinylthio)-3-pyridazinone IUPAC Name: 2-(3-chlorophenyl)-5-(4-methylsulfonylphenyl)-4-pyridin-2-ylsulfanylpyridazin-3-one Traditional Name: 2-(3-chlorophenyl)-5-(4-mesylphenyl)-4-(2-pyridylthio)pyridazin-3-one Formula: C22H16ClN3O3S2 MolecularWeight: 469.96374

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=C(C(=O)N(N=C2)C3=CC(=CC=C3)Cl)SC4=CC=CC=N4

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=C(C(=O)N(N=C2)C3=CC(=CC=C3)Cl)SC4=CC=CC=N4

InChI

InChI=1S/C22H16ClN3O3S2/c1-31(28,29)18-10-8-15(9-11-18)19-14-25-26(17-6-4-5-16(23)13-17)22(27)21(19)30-20-7-2-3-12-24-20/h2-14H,1H3