6-[[4-(1-methylpyridin-1-ium-3-yl)-1,2,5-thiadiazol-3-yl]sulfanyl]hexanenitrile iodide

Systemtic Name: 6-[[4-(1-methylpyridin-1-ium-3-yl)-1,2,5-thiadiazol-3-yl]sulfanyl]hexanenitrile iodide Openeye Name: 6-[[4-(1-methylpyridin-1-ium-3-yl)-1,2,5-thiadiazol-3-yl]sulfanyl]hexanenitrile iodide CAS Name: 6-[[4-(1-methyl-3-pyridin-1-iumyl)-1,2,5-thiadiazol-3-yl]thio]hexanenitrile iodide IUPAC Name: 6-[[4-(1-methylpyridin-1-ium-3-yl)-1,2,5-thiadiazol-3-yl]sulfanyl]hexanenitrile iodide Traditional Name: 6-[[4-(1-methylpyridin-1-ium-3-yl)-1,2,5-thiadiazol-3-yl]thio]hexanenitrile iodide Formula: C14H17IN4S2 MolecularWeight: 432.34605

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC(=C1)C2=NSN=C2SCCCCCC#N.[I-]

Isomeric SMILES

C[N+]1=CC=CC(=C1)C2=NSN=C2SCCCCCC#N.[I-]

InChI

InChI=1S/C14H17N4S2.HI/c1-18-9-6-7-12(11-18)13-14(17-20-16-13)19-10-5-3-2-4-8-15;/h6-7,9,11H,2-5,10H2,1H3;1H/q+1;/p-1