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

Systemtic Name: 3-(1-methylpyridin-1-ium-3-yl)-4-octylsulfanyl-1,2,5-thiadiazole Openeye Name: 3-(1-methylpyridin-1-ium-3-yl)-4-octylsulfanyl-1,2,5-thiadiazole CAS Name: 3-(1-methyl-3-pyridin-1-iumyl)-4-(octylthio)-1,2,5-thiadiazole IUPAC Name: 3-(1-methylpyridin-1-ium-3-yl)-4-octylsulfanyl-1,2,5-thiadiazole Traditional Name: 3-(1-methylpyridin-1-ium-3-yl)-4-(octylthio)-1,2,5-thiadiazole Formula: C16H24N3S2+ MolecularWeight: 322.51186

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC1=NSN=C1C2=C[N+](=CC=C2)C

Isomeric SMILES

CCCCCCCCSC1=NSN=C1C2=C[N+](=CC=C2)C

InChI

InChI=1S/C16H24N3S2/c1-3-4-5-6-7-8-12-20-16-15(17-21-18-16)14-10-9-11-19(2)13-14/h9-11,13H,3-8,12H2,1-2H3/q+1