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

Systemtic Name: 3-(1-methylpyridin-1-ium-3-yl)-4-(3-thiophen-2-ylpropylsulfanyl)-1,2,5-thiadiazole iodide Openeye Name: 3-(1-methylpyridin-1-ium-3-yl)-4-[3-(2-thienyl)propylsulfanyl]-1,2,5-thiadiazole iodide CAS Name: 3-(1-methyl-3-pyridin-1-iumyl)-4-(3-thiophen-2-ylpropylthio)-1,2,5-thiadiazole iodide IUPAC Name: 3-(1-methylpyridin-1-ium-3-yl)-4-(3-thiophen-2-ylpropylsulfanyl)-1,2,5-thiadiazole iodide Traditional Name: 3-(1-methylpyridin-1-ium-3-yl)-4-[3-(2-thienyl)propylthio]-1,2,5-thiadiazole iodide Formula: C15H16IN3S3 MolecularWeight: 461.40711

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC(=C1)C2=NSN=C2SCCCC3=CC=CS3.[I-]

Isomeric SMILES

C[N+]1=CC=CC(=C1)C2=NSN=C2SCCCC3=CC=CS3.[I-]

InChI

InChI=1S/C15H16N3S3.HI/c1-18-8-2-5-12(11-18)14-15(17-21-16-14)20-10-4-7-13-6-3-9-19-13;/h2-3,5-6,8-9,11H,4,7,10H2,1H3;1H/q+1;/p-1