2-[(1-methylpyridin-1-ium-2-yl)sulfanylmethylsulfanyl]-1,3-benzothiazole

Systemtic Name: 2-[(1-methylpyridin-1-ium-2-yl)sulfanylmethylsulfanyl]-1,3-benzothiazole Openeye Name: 2-[(1-methylpyridin-1-ium-2-yl)sulfanylmethylsulfanyl]-1,3-benzothiazole CAS Name: 2-[[(1-methyl-2-pyridin-1-iumyl)thio]methylthio]-1,3-benzothiazole IUPAC Name: 2-[(1-methylpyridin-1-ium-2-yl)sulfanylmethylsulfanyl]-1,3-benzothiazole Traditional Name: 2-[[(1-methylpyridin-1-ium-2-yl)thio]methylthio]-1,3-benzothiazole Formula: C14H13N2S3+ MolecularWeight: 305.46142

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC=C1SCSC2=NC3=CC=CC=C3S2

Isomeric SMILES

C[N+]1=CC=CC=C1SCSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C14H13N2S3/c1-16-9-5-4-8-13(16)17-10-18-14-15-11-6-2-3-7-12(11)19-14/h2-9H,10H2,1H3/q+1