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

Systemtic Name: [6-(4-fluoranyl-3-methyl-phenyl)-2-(2-methylpropyl)-3-oxidanylidene-pyridazin-4-yl]methyl methanesulfonate Openeye Name: [6-(4-fluoro-3-methyl-phenyl)-2-isobutyl-3-oxo-pyridazin-4-yl]methyl methanesulfonate CAS Name: methanesulfonic acid [6-(4-fluoro-3-methylphenyl)-2-(2-methylpropyl)-3-oxo-4-pyridazinyl]methyl ester IUPAC Name: [6-(4-fluoro-3-methylphenyl)-2-(2-methylpropyl)-3-oxopyridazin-4-yl]methyl methanesulfonate Traditional Name: methanesulfonic acid [6-(4-fluoro-3-methyl-phenyl)-2-isobutyl-3-keto-pyridazin-4-yl]methyl ester Formula: C17H21FN2O4S MolecularWeight: 368.423043

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21FN2O4S/c1-11(2)9-20-17(21)14(10-24-25(4,22)23)8-16(19-20)13-5-6-15(18)12(3)7-13/h5-8,11H,9-10H2,1-4H3