3-(1H-benzimidazol-3-ium-2-ylsulfanylmethyl)-4-ethyl-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-(1H-benzimidazol-3-ium-2-ylsulfanylmethyl)-4-ethyl-1H-1,2,4-triazole-5-thione Openeye Name: 3-(1H-benzimidazol-3-ium-2-ylsulfanylmethyl)-4-ethyl-1H-1,2,4-triazole-5-thione CAS Name: 3-[(1H-benzimidazol-3-ium-2-ylthio)methyl]-4-ethyl-1H-1,2,4-triazole-5-thione IUPAC Name: 3-(1H-benzimidazol-3-ium-2-ylsulfanylmethyl)-4-ethyl-1H-1,2,4-triazole-5-thione Traditional Name: 3-[(1H-benzimidazol-3-ium-2-ylthio)methyl]-4-ethyl-1H-1,2,4-triazole-5-thione Formula: C12H14N5S2+ MolecularWeight: 292.40306

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NNC1=S)CSC2=[NH+]C3=CC=CC=C3N2

Isomeric SMILES

CCN1C(=NNC1=S)CSC2=[NH+]C3=CC=CC=C3N2

InChI

InChI=1S/C12H13N5S2/c1-2-17-10(15-16-12(17)18)7-19-11-13-8-5-3-4-6-9(8)14-11/h3-6H,2,7H2,1H3,(H,13,14)(H,16,18)/p+1