3-methyl-2-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)sulfanylmethylsulfanyl]-1,3-benzothiazol-3-ium diiodide

Systemtic Name: 3-methyl-2-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)sulfanylmethylsulfanyl]-1,3-benzothiazol-3-ium diiodide Openeye Name: 3-methyl-2-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)sulfanylmethylsulfanyl]-1,3-benzothiazol-3-ium diiodide CAS Name: 3-methyl-2-[[(3-methyl-1,3-benzothiazol-3-ium-2-yl)thio]methylthio]-1,3-benzothiazol-3-ium diiodide IUPAC Name: 3-methyl-2-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)sulfanylmethylsulfanyl]-1,3-benzothiazol-3-ium diiodide Traditional Name: 3-methyl-2-[[(3-methyl-1,3-benzothiazol-3-ium-2-yl)thio]methylthio]-1,3-benzothiazol-3-ium diiodide Formula: C17H16I2N2S4 MolecularWeight: 630.39128

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(SC2=CC=CC=C21)SCSC3=[N+](C4=CC=CC=C4S3)C.[I-].[I-]

Isomeric SMILES

C[N+]1=C(SC2=CC=CC=C21)SCSC3=[N+](C4=CC=CC=C4S3)C.[I-].[I-]

InChI

InChI=1S/C17H16N2S4.2HI/c1-18-12-7-3-5-9-14(12)22-16(18)20-11-21-17-19(2)13-8-4-6-10-15(13)23-17;;/h3-10H,11H2,1-2H3;2*1H/q+2;;/p-2