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

Systemtic Name: [2-(2-methylpropyl)-6-(4-methylsulfanylphenyl)-3-oxidanylidene-pyridazin-4-yl]methyl methanesulfonate Openeye Name: [2-isobutyl-6-(4-methylsulfanylphenyl)-3-oxo-pyridazin-4-yl]methyl methanesulfonate CAS Name: methanesulfonic acid [2-(2-methylpropyl)-6-[4-(methylthio)phenyl]-3-oxo-4-pyridazinyl]methyl ester IUPAC Name: [2-(2-methylpropyl)-6-(4-methylsulfanylphenyl)-3-oxopyridazin-4-yl]methyl methanesulfonate Traditional Name: methanesulfonic acid [2-isobutyl-3-keto-6-[4-(methylthio)phenyl]pyridazin-4-yl]methyl ester Formula: C17H22N2O4S2 MolecularWeight: 382.49758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O4S2/c1-12(2)10-19-17(20)14(11-23-25(4,21)22)9-16(18-19)13-5-7-15(24-3)8-6-13/h5-9,12H,10-11H2,1-4H3