methyl 2-(1H-benzimidazol-2-yl)-2-pyridin-1-ium-1-yl-ethanedithioate

Systemtic Name: methyl 2-(1H-benzimidazol-2-yl)-2-pyridin-1-ium-1-yl-ethanedithioate Openeye Name: methyl 2-(1H-benzimidazol-2-yl)-2-pyridin-1-ium-1-yl-ethanedithioate CAS Name: 2-(1H-benzimidazol-2-yl)-2-(1-pyridin-1-iumyl)ethanedithioic acid methyl ester IUPAC Name: methyl 2-(1H-benzimidazol-2-yl)-2-pyridin-1-ium-1-ylethanedithioate Traditional Name: 2-(1H-benzimidazol-2-yl)-2-pyridin-1-ium-1-yl-ethanedithioic acid methyl ester Formula: C15H14N3S2+ MolecularWeight: 300.42176

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14N3S2/c1-20-15(19)13(18-9-5-2-6-10-18)14-16-11-7-3-4-8-12(11)17-14/h2-10,13H,1H3,(H,16,17)/q+1