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

Systemtic Name: [6-(4-fluoranyl-3-methyl-phenyl)-3-oxidanylidene-2-(phenylmethyl)pyridazin-4-yl]methyl methanesulfonate Openeye Name: [2-benzyl-6-(4-fluoro-3-methyl-phenyl)-3-oxo-pyridazin-4-yl]methyl methanesulfonate CAS Name: methanesulfonic acid [6-(4-fluoro-3-methylphenyl)-3-oxo-2-(phenylmethyl)-4-pyridazinyl]methyl ester IUPAC Name: [2-benzyl-6-(4-fluoro-3-methylphenyl)-3-oxopyridazin-4-yl]methyl methanesulfonate Traditional Name: methanesulfonic acid [2-benzyl-6-(4-fluoro-3-methyl-phenyl)-3-keto-pyridazin-4-yl]methyl ester Formula: C20H19FN2O4S MolecularWeight: 402.439263

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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)CC3=CC=CC=C3)F

Isomeric SMILES

CC1=C(C=CC(=C1)C2=NN(C(=O)C(=C2)COS(=O)(=O)C)CC3=CC=CC=C3)F

InChI

InChI=1S/C20H19FN2O4S/c1-14-10-16(8-9-18(14)21)19-11-17(13-27-28(2,25)26)20(24)23(22-19)12-15-6-4-3-5-7-15/h3-11H,12-13H2,1-2H3