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

Systemtic Name: [6-(4-methylphenyl)-2-(2-methylpropyl)-3-oxidanylidene-pyridazin-4-yl]methyl methanesulfonate Openeye Name: [2-isobutyl-3-oxo-6-(p-tolyl)pyridazin-4-yl]methyl methanesulfonate CAS Name: methanesulfonic acid [6-(4-methylphenyl)-2-(2-methylpropyl)-3-oxo-4-pyridazinyl]methyl ester IUPAC Name: [6-(4-methylphenyl)-2-(2-methylpropyl)-3-oxopyridazin-4-yl]methyl methanesulfonate Traditional Name: methanesulfonic acid [2-isobutyl-3-keto-6-(p-tolyl)pyridazin-4-yl]methyl ester Formula: C17H22N2O4S MolecularWeight: 350.43258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(=O)C(=C2)COS(=O)(=O)C)CC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=O)C(=C2)COS(=O)(=O)C)CC(C)C

InChI

InChI=1S/C17H22N2O4S/c1-12(2)10-19-17(20)15(11-23-24(4,21)22)9-16(18-19)14-7-5-13(3)6-8-14/h5-9,12H,10-11H2,1-4H3