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

Systemtic Name: 2-[(1-methylpyridin-1-ium-2-yl)sulfanylmethylsulfanyl]-1,3-benzoxazole Openeye Name: 2-[(1-methylpyridin-1-ium-2-yl)sulfanylmethylsulfanyl]-1,3-benzoxazole CAS Name: 2-[[(1-methyl-2-pyridin-1-iumyl)thio]methylthio]-1,3-benzoxazole IUPAC Name: 2-[(1-methylpyridin-1-ium-2-yl)sulfanylmethylsulfanyl]-1,3-benzoxazole Traditional Name: 2-[[(1-methylpyridin-1-ium-2-yl)thio]methylthio]-1,3-benzoxazole Formula: C14H13N2OS2+ MolecularWeight: 289.39582

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC=C1SCSC2=NC3=CC=CC=C3O2

Isomeric SMILES

C[N+]1=CC=CC=C1SCSC2=NC3=CC=CC=C3O2

InChI

InChI=1S/C14H13N2OS2/c1-16-9-5-4-8-13(16)18-10-19-14-15-11-6-2-3-7-12(11)17-14/h2-9H,10H2,1H3/q+1