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

Systemtic Name: 1,4,6-trimethyl-3-methylsulfanyl-1,2,4-triazin-1-ium-5-one iodide Openeye Name: 1,4,6-trimethyl-3-methylsulfanyl-1,2,4-triazin-1-ium-5-one iodide CAS Name: 1,4,6-trimethyl-3-(methylthio)-1,2,4-triazin-1-ium-5-one iodide IUPAC Name: 1,4,6-trimethyl-3-methylsulfanyl-1,2,4-triazin-1-ium-5-one iodide Traditional Name: 1,4,6-trimethyl-3-(methylthio)-1,2,4-triazin-1-ium-5-one iodide Formula: C7H12IN3OS MolecularWeight: 313.15915

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](N=C(N(C1=O)C)SC)C.[I-]

Isomeric SMILES

CC1=[N+](N=C(N(C1=O)C)SC)C.[I-]

InChI

InChI=1S/C7H12N3OS.HI/c1-5-6(11)9(2)7(12-4)8-10(5)3;/h1-4H3;1H/q+1;/p-1