3-(1,6-dimethylpyridin-1-ium-3-yl)-4-hexylsulfanyl-1,2,5-thiadiazole iodide

Systemtic Name: 3-(1,6-dimethylpyridin-1-ium-3-yl)-4-hexylsulfanyl-1,2,5-thiadiazole iodide Openeye Name: 3-(1,6-dimethylpyridin-1-ium-3-yl)-4-hexylsulfanyl-1,2,5-thiadiazole iodide CAS Name: 3-(1,6-dimethyl-3-pyridin-1-iumyl)-4-(hexylthio)-1,2,5-thiadiazole iodide IUPAC Name: 3-(1,6-dimethylpyridin-1-ium-3-yl)-4-hexylsulfanyl-1,2,5-thiadiazole iodide Traditional Name: 3-(1,6-dimethylpyridin-1-ium-3-yl)-4-(hexylthio)-1,2,5-thiadiazole iodide Formula: C15H22IN3S2 MolecularWeight: 435.38975

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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