1,5,6-trimethyl-3-methylsulfanyl-1,2,4-triazin-1-ium iodide

Systemtic Name: 1,5,6-trimethyl-3-methylsulfanyl-1,2,4-triazin-1-ium iodide Openeye Name: 1,5,6-trimethyl-3-methylsulfanyl-1,2,4-triazin-1-ium iodide CAS Name: 1,5,6-trimethyl-3-(methylthio)-1,2,4-triazin-1-ium iodide IUPAC Name: 1,5,6-trimethyl-3-methylsulfanyl-1,2,4-triazin-1-ium iodide Traditional Name: 1,5,6-trimethyl-3-(methylthio)-1,2,4-triazin-1-ium iodide Formula: C7H12IN3S MolecularWeight: 297.15975

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C([N+](=NC(=N1)SC)C)C.[I-]

Isomeric SMILES

CC1=C([N+](=NC(=N1)SC)C)C.[I-]

InChI

InChI=1S/C7H12N3S.HI/c1-5-6(2)10(3)9-7(8-5)11-4;/h1-4H3;1H/q+1;/p-1