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

Systemtic Name: [2-(2-methylpropyl)-3-oxidanylidene-6-(4-phenylphenyl)pyridazin-4-yl]methyl methanesulfonate Openeye Name: [2-isobutyl-3-oxo-6-(4-phenylphenyl)pyridazin-4-yl]methyl methanesulfonate CAS Name: methanesulfonic acid [2-(2-methylpropyl)-3-oxo-6-(4-phenylphenyl)-4-pyridazinyl]methyl ester IUPAC Name: [2-(2-methylpropyl)-3-oxo-6-(4-phenylphenyl)pyridazin-4-yl]methyl methanesulfonate Traditional Name: methanesulfonic acid [2-isobutyl-3-keto-6-(4-phenylphenyl)pyridazin-4-yl]methyl ester Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C(=CC(=N1)C2=CC=C(C=C2)C3=CC=CC=C3)COS(=O)(=O)C

Isomeric SMILES

CC(C)CN1C(=O)C(=CC(=N1)C2=CC=C(C=C2)C3=CC=CC=C3)COS(=O)(=O)C

InChI

InChI=1S/C22H24N2O4S/c1-16(2)14-24-22(25)20(15-28-29(3,26)27)13-21(23-24)19-11-9-18(10-12-19)17-7-5-4-6-8-17/h4-13,16H,14-15H2,1-3H3