5-chloranyl-6-ethyl-N-methyl-3-methylsulfanyl-2-phenyl-pyridazin-2-ium-4-amine iodide

Systemtic Name: 5-chloranyl-6-ethyl-N-methyl-3-methylsulfanyl-2-phenyl-pyridazin-2-ium-4-amine iodide Openeye Name: 5-chloro-6-ethyl-N-methyl-3-methylsulfanyl-2-phenyl-pyridazin-2-ium-4-amine iodide CAS Name: 5-chloro-6-ethyl-N-methyl-3-(methylthio)-2-phenyl-4-pyridazin-2-iumamine iodide IUPAC Name: 5-chloro-6-ethyl-N-methyl-3-methylsulfanyl-2-phenylpyridazin-2-ium-4-amine iodide Traditional Name: [5-chloro-6-ethyl-3-(methylthio)-2-phenyl-pyridazin-2-ium-4-yl]-methyl-amine iodide Formula: C14H17ClIN3S MolecularWeight: 421.72735

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=N[N+](=C(C(=C1Cl)NC)SC)C2=CC=CC=C2.[I-]

Isomeric SMILES

CCC1=N[N+](=C(C(=C1Cl)NC)SC)C2=CC=CC=C2.[I-]

InChI

InChI=1S/C14H17ClN3S.HI/c1-4-11-12(15)13(16-2)14(19-3)18(17-11)10-8-6-5-7-9-10;/h5-9H,4H2,1-3H3,(H,16,17);1H/q+1;/p-1