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

Systemtic Name: [2-(cyclopropylmethyl)-6-(3-fluoranyl-4-methoxy-phenyl)-3-oxidanylidene-pyridazin-4-yl]methyl methanesulfonate Openeye Name: [2-(cyclopropylmethyl)-6-(3-fluoro-4-methoxy-phenyl)-3-oxo-pyridazin-4-yl]methyl methanesulfonate CAS Name: methanesulfonic acid [2-(cyclopropylmethyl)-6-(3-fluoro-4-methoxyphenyl)-3-oxo-4-pyridazinyl]methyl ester IUPAC Name: [2-(cyclopropylmethyl)-6-(3-fluoro-4-methoxyphenyl)-3-oxopyridazin-4-yl]methyl methanesulfonate Traditional Name: methanesulfonic acid [2-(cyclopropylmethyl)-6-(3-fluoro-4-methoxy-phenyl)-3-keto-pyridazin-4-yl]methyl ester Formula: C17H19FN2O5S MolecularWeight: 382.406563

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C(=O)C(=C2)COS(=O)(=O)C)CC3CC3)F

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C(=O)C(=C2)COS(=O)(=O)C)CC3CC3)F

InChI

InChI=1S/C17H19FN2O5S/c1-24-16-6-5-12(7-14(16)18)15-8-13(10-25-26(2,22)23)17(21)20(19-15)9-11-3-4-11/h5-8,11H,3-4,9-10H2,1-2H3