3-(1-ethylpyridin-1-ium-3-yl)-4-hexylsulfanyl-1,2,5-thiadiazole iodide

Systemtic Name: 3-(1-ethylpyridin-1-ium-3-yl)-4-hexylsulfanyl-1,2,5-thiadiazole iodide Openeye Name: 3-(1-ethylpyridin-1-ium-3-yl)-4-hexylsulfanyl-1,2,5-thiadiazole iodide CAS Name: 3-(1-ethyl-3-pyridin-1-iumyl)-4-(hexylthio)-1,2,5-thiadiazole iodide IUPAC Name: 3-(1-ethylpyridin-1-ium-3-yl)-4-hexylsulfanyl-1,2,5-thiadiazole iodide Traditional Name: 3-(1-ethylpyridin-1-ium-3-yl)-4-(hexylthio)-1,2,5-thiadiazole iodide Formula: C15H22IN3S2 MolecularWeight: 435.38975

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=NSN=C1C2=C[N+](=CC=C2)CC.[I-]

Isomeric SMILES

CCCCCCSC1=NSN=C1C2=C[N+](=CC=C2)CC.[I-]

InChI

InChI=1S/C15H22N3S2.HI/c1-3-5-6-7-11-19-15-14(16-20-17-15)13-9-8-10-18(4-2)12-13;/h8-10,12H,3-7,11H2,1-2H3;1H/q+1;/p-1