4-(dimethylaminomethyl)-2-(2-methylpropyl)-6-(4-methylsulfanylphenyl)pyridazin-3-one hydrochloride

Systemtic Name: 4-(dimethylaminomethyl)-2-(2-methylpropyl)-6-(4-methylsulfanylphenyl)pyridazin-3-one hydrochloride Openeye Name: 4-(dimethylaminomethyl)-2-isobutyl-6-(4-methylsulfanylphenyl)pyridazin-3-one hydrochloride CAS Name: 4-(dimethylaminomethyl)-2-(2-methylpropyl)-6-[4-(methylthio)phenyl]-3-pyridazinone hydrochloride IUPAC Name: 4-(dimethylaminomethyl)-2-(2-methylpropyl)-6-(4-methylsulfanylphenyl)pyridazin-3-one hydrochloride Traditional Name: 4-(dimethylaminomethyl)-2-isobutyl-6-[4-(methylthio)phenyl]pyridazin-3-one hydrochloride Formula: C18H26ClN3OS MolecularWeight: 367.93654

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C(=CC(=N1)C2=CC=C(C=C2)SC)CN(C)C.Cl

Isomeric SMILES

CC(C)CN1C(=O)C(=CC(=N1)C2=CC=C(C=C2)SC)CN(C)C.Cl

InChI

InChI=1S/C18H25N3OS.ClH/c1-13(2)11-21-18(22)15(12-20(3)4)10-17(19-21)14-6-8-16(23-5)9-7-14;/h6-10,13H,11-12H2,1-5H3;1H