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

Systemtic Name: 1-methyl-3-methylsulfanyl-2H-1,2,4-triazin-1-ium-5-one iodide Openeye Name: 1-methyl-3-methylsulfanyl-2H-1,2,4-triazin-1-ium-5-one iodide CAS Name: 1-methyl-3-(methylthio)-2H-1,2,4-triazin-1-ium-5-one iodide IUPAC Name: 1-methyl-3-methylsulfanyl-2H-1,2,4-triazin-1-ium-5-one iodide Traditional Name: 1-methyl-3-(methylthio)-2H-1,2,4-triazin-1-ium-5-one iodide Formula: C5H8IN3OS MolecularWeight: 285.10599

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC(=O)N=C(N1)SC.[I-]

Isomeric SMILES

C[N+]1=CC(=O)N=C(N1)SC.[I-]

InChI

InChI=1S/C5H7N3OS.HI/c1-8-3-4(9)6-5(7-8)10-2;/h3H,1-2H3;1H