5-(4-chlorophenyl)-6-(4-methylsulfanylphenyl)-2-(pyridin-2-ylmethyl)pyridazine-3-thione; methanesulfonate

Systemtic Name: 5-(4-chlorophenyl)-6-(4-methylsulfanylphenyl)-2-(pyridin-2-ylmethyl)pyridazine-3-thione; methanesulfonate Openeye Name: 5-(4-chlorophenyl)-6-(4-methylsulfanylphenyl)-2-(2-pyridylmethyl)pyridazine-3-thione; methanesulfonate CAS Name: 5-(4-chlorophenyl)-6-[4-(methylthio)phenyl]-2-(2-pyridinylmethyl)-3-pyridazinethione; methanesulfonate IUPAC Name: 5-(4-chlorophenyl)-6-(4-methylsulfanylphenyl)-2-(pyridin-2-ylmethyl)pyridazine-3-thione; methanesulfonate Traditional Name: 5-(4-chlorophenyl)-6-[4-(methylthio)phenyl]-2-(2-pyridylmethyl)pyridazine-3-thione mesylate Formula: C24H21ClN3O3S3- MolecularWeight: 531.08984

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C2=NN(C(=S)C=C2C3=CC=C(C=C3)Cl)CC4=CC=CC=N4.CS(=O)(=O)[O-]

Isomeric SMILES

CSC1=CC=C(C=C1)C2=NN(C(=S)C=C2C3=CC=C(C=C3)Cl)CC4=CC=CC=N4.CS(=O)(=O)[O-]

InChI

InChI=1S/C23H18ClN3S2.CH4O3S/c1-29-20-11-7-17(8-12-20)23-21(16-5-9-18(24)10-6-16)14-22(28)27(26-23)15-19-4-2-3-13-25-19;1-5(2,3)4/h2-14H,15H2,1H3;1H3,(H,2,3,4)/p-1