5-(4-chlorophenyl)-6-(4-methylsulfanylphenyl)-2-(pyridin-3-ylmethyl)pyridazin-3-one; methanesulfonate

Systemtic Name: 5-(4-chlorophenyl)-6-(4-methylsulfanylphenyl)-2-(pyridin-3-ylmethyl)pyridazin-3-one; methanesulfonate Openeye Name: 5-(4-chlorophenyl)-6-(4-methylsulfanylphenyl)-2-(3-pyridylmethyl)pyridazin-3-one; methanesulfonate CAS Name: 5-(4-chlorophenyl)-6-[4-(methylthio)phenyl]-2-(3-pyridinylmethyl)-3-pyridazinone; methanesulfonate IUPAC Name: 5-(4-chlorophenyl)-6-(4-methylsulfanylphenyl)-2-(pyridin-3-ylmethyl)pyridazin-3-one; methanesulfonate Traditional Name: 5-(4-chlorophenyl)-6-[4-(methylthio)phenyl]-2-(3-pyridylmethyl)pyridazin-3-one mesylate Formula: C24H21ClN3O4S2- MolecularWeight: 515.02424

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C2=NN(C(=O)C=C2C3=CC=C(C=C3)Cl)CC4=CN=CC=C4.CS(=O)(=O)[O-]

Isomeric SMILES

CSC1=CC=C(C=C1)C2=NN(C(=O)C=C2C3=CC=C(C=C3)Cl)CC4=CN=CC=C4.CS(=O)(=O)[O-]

InChI

InChI=1S/C23H18ClN3OS.CH4O3S/c1-29-20-10-6-18(7-11-20)23-21(17-4-8-19(24)9-5-17)13-22(28)27(26-23)15-16-3-2-12-25-14-16;1-5(2,3)4/h2-14H,15H2,1H3;1H3,(H,2,3,4)/p-1