[2-(2-methylpropyl)-6-(4-methylsulfinylphenyl)-3-oxidanylidene-pyridazin-4-yl]methyl methanesulfonate

Systemtic Name: [2-(2-methylpropyl)-6-(4-methylsulfinylphenyl)-3-oxidanylidene-pyridazin-4-yl]methyl methanesulfonate Openeye Name: [2-isobutyl-6-(4-methylsulfinylphenyl)-3-oxo-pyridazin-4-yl]methyl methanesulfonate CAS Name: methanesulfonic acid [2-(2-methylpropyl)-6-(4-methylsulfinylphenyl)-3-oxo-4-pyridazinyl]methyl ester IUPAC Name: [2-(2-methylpropyl)-6-(4-methylsulfinylphenyl)-3-oxopyridazin-4-yl]methyl methanesulfonate Traditional Name: methanesulfonic acid [2-isobutyl-3-keto-6-(4-methylsulfinylphenyl)pyridazin-4-yl]methyl ester Formula: C17H22N2O5S2 MolecularWeight: 398.49698

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C(=CC(=N1)C2=CC=C(C=C2)S(=O)C)COS(=O)(=O)C

Isomeric SMILES

CC(C)CN1C(=O)C(=CC(=N1)C2=CC=C(C=C2)S(=O)C)COS(=O)(=O)C

InChI

InChI=1S/C17H22N2O5S2/c1-12(2)10-19-17(20)14(11-24-26(4,22)23)9-16(18-19)13-5-7-15(8-6-13)25(3)21/h5-9,12H,10-11H2,1-4H3