1,4-dimethyl-3-methylsulfanyl-1,2,4-triazin-1-ium-5-one iodide

Systemtic Name: 1,4-dimethyl-3-methylsulfanyl-1,2,4-triazin-1-ium-5-one iodide Openeye Name: 1,4-dimethyl-3-methylsulfanyl-1,2,4-triazin-1-ium-5-one iodide CAS Name: 1,4-dimethyl-3-(methylthio)-1,2,4-triazin-1-ium-5-one iodide IUPAC Name: 1,4-dimethyl-3-methylsulfanyl-1,2,4-triazin-1-ium-5-one iodide Traditional Name: 1,4-dimethyl-3-(methylthio)-1,2,4-triazin-1-ium-5-one iodide Formula: C6H10IN3OS MolecularWeight: 299.13257

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C=[N+](N=C1SC)C.[I-]

Isomeric SMILES

CN1C(=O)C=[N+](N=C1SC)C.[I-]

InChI

InChI=1S/C6H10N3OS.HI/c1-8-4-5(10)9(2)6(7-8)11-3;/h4H,1-3H3;1H/q+1;/p-1