3-(1-methylpyridin-1-ium-3-yl)-4-pentylsulfanyl-1,2,5-thiadiazole iodide

Systemtic Name: 3-(1-methylpyridin-1-ium-3-yl)-4-pentylsulfanyl-1,2,5-thiadiazole iodide Openeye Name: 3-(1-methylpyridin-1-ium-3-yl)-4-pentylsulfanyl-1,2,5-thiadiazole iodide CAS Name: 3-(1-methyl-3-pyridin-1-iumyl)-4-(pentylthio)-1,2,5-thiadiazole iodide IUPAC Name: 3-(1-methylpyridin-1-ium-3-yl)-4-pentylsulfanyl-1,2,5-thiadiazole iodide Traditional Name: 3-(amylthio)-4-(1-methylpyridin-1-ium-3-yl)-1,2,5-thiadiazole iodide Formula: C13H18IN3S2 MolecularWeight: 407.33659

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=NSN=C1C2=C[N+](=CC=C2)C.[I-]

Isomeric SMILES

CCCCCSC1=NSN=C1C2=C[N+](=CC=C2)C.[I-]

InChI

InChI=1S/C13H18N3S2.HI/c1-3-4-5-9-17-13-12(14-18-15-13)11-7-6-8-16(2)10-11;/h6-8,10H,3-5,9H2,1-2H3;1H/q+1;/p-1