2-[5,6-diethyl-1-methyl-3,4-bis(sulfanyl)pyridin-1-ium-2-yl]ethenone iodide

Systemtic Name: 2-[5,6-diethyl-1-methyl-3,4-bis(sulfanyl)pyridin-1-ium-2-yl]ethenone iodide Openeye Name: 2-[5,6-diethyl-1-methyl-3,4-bis(sulfanyl)pyridin-1-ium-2-yl]ethenone iodide CAS Name: 2-(5,6-diethyl-3,4-dimercapto-1-methyl-2-pyridin-1-iumyl)ethenone iodide IUPAC Name: 2-[5,6-diethyl-1-methyl-3,4-bis(sulfanyl)pyridin-1-ium-2-yl]ethenone iodide Traditional Name: 2-(5,6-diethyl-3,4-dimercapto-1-methyl-pyridin-1-ium-2-yl)ethenone iodide Formula: C12H16INOS2 MolecularWeight: 381.29601

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C([N+](=C1CC)C)C=C=O)S)S.[I-]

Isomeric SMILES

CCC1=C(C(=C([N+](=C1CC)C)C=C=O)S)S.[I-]

InChI

InChI=1S/C12H15NOS2.HI/c1-4-8-9(5-2)13(3)10(6-7-14)12(16)11(8)15;/h6,16H,4-5H2,1-3H3;1H