3-(1-methylpyridin-1-ium-2-yl)sulfanyl-5,6-diphenyl-1,2,4-triazine iodide

Systemtic Name: 3-(1-methylpyridin-1-ium-2-yl)sulfanyl-5,6-diphenyl-1,2,4-triazine iodide Openeye Name: 3-(1-methylpyridin-1-ium-2-yl)sulfanyl-5,6-diphenyl-1,2,4-triazine iodide CAS Name: 3-[(1-methyl-2-pyridin-1-iumyl)thio]-5,6-diphenyl-1,2,4-triazine iodide IUPAC Name: 3-(1-methylpyridin-1-ium-2-yl)sulfanyl-5,6-diphenyl-1,2,4-triazine iodide Traditional Name: 3-[(1-methylpyridin-1-ium-2-yl)thio]-5,6-diphenyl-1,2,4-triazine iodide Formula: C21H17IN4S MolecularWeight: 484.35595

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC=C1SC2=NC(=C(N=N2)C3=CC=CC=C3)C4=CC=CC=C4.[I-]

Isomeric SMILES

C[N+]1=CC=CC=C1SC2=NC(=C(N=N2)C3=CC=CC=C3)C4=CC=CC=C4.[I-]

InChI

InChI=1S/C21H17N4S.HI/c1-25-15-9-8-14-18(25)26-21-22-19(16-10-4-2-5-11-16)20(23-24-21)17-12-6-3-7-13-17;/h2-15H,1H3;1H/q+1;/p-1