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

Systemtic Name: 1-methyl-3-methylsulfanyl-5-phenyl-1,2,4-triazin-1-ium iodide Openeye Name: 1-methyl-3-methylsulfanyl-5-phenyl-1,2,4-triazin-1-ium iodide CAS Name: 1-methyl-3-(methylthio)-5-phenyl-1,2,4-triazin-1-ium iodide IUPAC Name: 1-methyl-3-methylsulfanyl-5-phenyl-1,2,4-triazin-1-ium iodide Traditional Name: 1-methyl-3-(methylthio)-5-phenyl-1,2,4-triazin-1-ium iodide Formula: C11H12IN3S MolecularWeight: 345.20255

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=NC(=NC(=C1)C2=CC=CC=C2)SC.[I-]

Isomeric SMILES

C[N+]1=NC(=NC(=C1)C2=CC=CC=C2)SC.[I-]

InChI

InChI=1S/C11H12N3S.HI/c1-14-8-10(12-11(13-14)15-2)9-6-4-3-5-7-9;/h3-8H,1-2H3;1H/q+1;/p-1