[azanyl(methylsulfanyl)methylidene]-[3-[4-(4-methyl-6-oxidanylidene-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]propyl]azanium iodide

Systemtic Name: [azanyl(methylsulfanyl)methylidene]-[3-[4-(4-methyl-6-oxidanylidene-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]propyl]azanium iodide Openeye Name: [amino(methylsulfanyl)methylene]-[3-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]propyl]ammonium iodide CAS Name: [amino-(methylthio)methylidene]-[3-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]propyl]ammonium iodide IUPAC Name: [amino(methylsulfanyl)methylidene]-[3-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]propyl]azanium iodide Traditional Name: [amino-(methylthio)methylene]-[3-[4-(6-keto-4-methyl-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]propyl]ammonium iodide Formula: C16H23IN4O2S MolecularWeight: 462.34889

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NN=C1C2=CC=C(C=C2)OCCC[NH+]=C(N)SC.[I-]

Isomeric SMILES

CC1CC(=O)NN=C1C2=CC=C(C=C2)OCCC[NH+]=C(N)SC.[I-]

InChI

InChI=1S/C16H22N4O2S.HI/c1-11-10-14(21)19-20-15(11)12-4-6-13(7-5-12)22-9-3-8-18-16(17)23-2;/h4-7,11H,3,8-10H2,1-2H3,(H2,17,18)(H,19,21);1H