2-[2,2-bis(methylsulfanyl)-1-pyridin-1-ium-1-yl-ethenyl]-1H-benzimidazole

Systemtic Name: 2-[2,2-bis(methylsulfanyl)-1-pyridin-1-ium-1-yl-ethenyl]-1H-benzimidazole Openeye Name: 2-[2,2-bis(methylsulfanyl)-1-pyridin-1-ium-1-yl-vinyl]-1H-benzimidazole CAS Name: 2-[2,2-bis(methylthio)-1-(1-pyridin-1-iumyl)ethenyl]-1H-benzimidazole IUPAC Name: 2-[2,2-bis(methylsulfanyl)-1-pyridin-1-ium-1-ylethenyl]-1H-benzimidazole Traditional Name: 2-[2,2-bis(methylthio)-1-pyridin-1-ium-1-yl-vinyl]-1H-benzimidazole Formula: C16H16N3S2+ MolecularWeight: 314.44834

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=C(C1=NC2=CC=CC=C2N1)[N+]3=CC=CC=C3)SC

Isomeric SMILES

CSC(=C(C1=NC2=CC=CC=C2N1)[N+]3=CC=CC=C3)SC

InChI

InChI=1S/C16H16N3S2/c1-20-16(21-2)14(19-10-6-3-7-11-19)15-17-12-8-4-5-9-13(12)18-15/h3-11H,1-2H3,(H,17,18)/q+1