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

Systemtic Name: 3-(1H-benzimidazol-3-ium-2-ylsulfanylmethyl)-4-phenyl-1H-1,2,4-triazole-5-thione Openeye Name: 3-(1H-benzimidazol-3-ium-2-ylsulfanylmethyl)-4-phenyl-1H-1,2,4-triazole-5-thione CAS Name: 3-[(1H-benzimidazol-3-ium-2-ylthio)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione IUPAC Name: 3-(1H-benzimidazol-3-ium-2-ylsulfanylmethyl)-4-phenyl-1H-1,2,4-triazole-5-thione Traditional Name: 3-[(1H-benzimidazol-3-ium-2-ylthio)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione Formula: C16H14N5S2+ MolecularWeight: 340.44586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NNC2=S)CSC3=[NH+]C4=CC=CC=C4N3

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NNC2=S)CSC3=[NH+]C4=CC=CC=C4N3

InChI

InChI=1S/C16H13N5S2/c22-16-20-19-14(21(16)11-6-2-1-3-7-11)10-23-15-17-12-8-4-5-9-13(12)18-15/h1-9H,10H2,(H,17,18)(H,20,22)/p+1