[5-(3-fluoranyl-4-methoxy-phenyl)-2-(2-methylpropyl)-3-oxidanylidene-pyridazin-4-yl]methyl methanesulfonate

Systemtic Name: [5-(3-fluoranyl-4-methoxy-phenyl)-2-(2-methylpropyl)-3-oxidanylidene-pyridazin-4-yl]methyl methanesulfonate Openeye Name: [5-(3-fluoro-4-methoxy-phenyl)-2-isobutyl-3-oxo-pyridazin-4-yl]methyl methanesulfonate CAS Name: methanesulfonic acid [5-(3-fluoro-4-methoxyphenyl)-2-(2-methylpropyl)-3-oxo-4-pyridazinyl]methyl ester IUPAC Name: [5-(3-fluoro-4-methoxyphenyl)-2-(2-methylpropyl)-3-oxopyridazin-4-yl]methyl methanesulfonate Traditional Name: methanesulfonic acid [5-(3-fluoro-4-methoxy-phenyl)-2-isobutyl-3-keto-pyridazin-4-yl]methyl ester Formula: C17H21FN2O5S MolecularWeight: 384.422443

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C(=C(C=N1)C2=CC(=C(C=C2)OC)F)COS(=O)(=O)C

Isomeric SMILES

CC(C)CN1C(=O)C(=C(C=N1)C2=CC(=C(C=C2)OC)F)COS(=O)(=O)C

InChI

InChI=1S/C17H21FN2O5S/c1-11(2)9-20-17(21)14(10-25-26(4,22)23)13(8-19-20)12-5-6-16(24-3)15(18)7-12/h5-8,11H,9-10H2,1-4H3