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

Systemtic Name: 3-methyl-2-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)methylsulfanylmethyl]-1,3-benzothiazol-3-ium Openeye Name: 3-methyl-2-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)methylsulfanylmethyl]-1,3-benzothiazol-3-ium CAS Name: 3-methyl-2-[[(3-methyl-1,3-benzothiazol-3-ium-2-yl)methylthio]methyl]-1,3-benzothiazol-3-ium IUPAC Name: 3-methyl-2-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)methylsulfanylmethyl]-1,3-benzothiazol-3-ium Traditional Name: 3-methyl-2-[[(3-methyl-1,3-benzothiazol-3-ium-2-yl)methylthio]methyl]-1,3-benzothiazol-3-ium Formula: C18H18N2S3+2 MolecularWeight: 358.54392

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2S3/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/q+2