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

Systemtic Name: 3-butylsulfanyl-4-(1-methylpyridin-1-ium-3-yl)-1,2,5-thiadiazole iodide Openeye Name: 3-butylsulfanyl-4-(1-methylpyridin-1-ium-3-yl)-1,2,5-thiadiazole iodide CAS Name: 3-(butylthio)-4-(1-methyl-3-pyridin-1-iumyl)-1,2,5-thiadiazole iodide IUPAC Name: 3-butylsulfanyl-4-(1-methylpyridin-1-ium-3-yl)-1,2,5-thiadiazole iodide Traditional Name: 3-(butylthio)-4-(1-methylpyridin-1-ium-3-yl)-1,2,5-thiadiazole iodide Formula: C12H16IN3S2 MolecularWeight: 393.31001

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NSN=C1C2=C[N+](=CC=C2)C.[I-]

Isomeric SMILES

CCCCSC1=NSN=C1C2=C[N+](=CC=C2)C.[I-]

InChI

InChI=1S/C12H16N3S2.HI/c1-3-4-8-16-12-11(13-17-14-12)10-6-5-7-15(2)9-10;/h5-7,9H,3-4,8H2,1-2H3;1H/q+1;/p-1