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

Systemtic Name: 3-methyl-2-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)methylsulfanylmethyl]-1,3-benzothiazol-3-ium diiodide Openeye Name: 3-methyl-2-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)methylsulfanylmethyl]-1,3-benzothiazol-3-ium diiodide CAS Name: 3-methyl-2-[[(3-methyl-1,3-benzothiazol-3-ium-2-yl)methylthio]methyl]-1,3-benzothiazol-3-ium diiodide IUPAC Name: 3-methyl-2-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)methylsulfanylmethyl]-1,3-benzothiazol-3-ium diiodide Traditional Name: 3-methyl-2-[[(3-methyl-1,3-benzothiazol-3-ium-2-yl)methylthio]methyl]-1,3-benzothiazol-3-ium diiodide Formula: C18H18I2N2S3 MolecularWeight: 612.35286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(SC2=CC=CC=C21)CSCC3=[N+](C4=CC=CC=C4S3)C.[I-].[I-]

Isomeric SMILES

C[N+]1=C(SC2=CC=CC=C21)CSCC3=[N+](C4=CC=CC=C4S3)C.[I-].[I-]

InChI

InChI=1S/C18H18N2S3.2HI/c1-19-13-7-3-5-9-15(13)22-17(19)11-21-12-18-20(2)14-8-4-6-10-16(14)23-18;;/h3-10H,11-12H2,1-2H3;2*1H/q+2;;/p-2