N-(5-oxidanylidene-1H-1,2,4-triazol-4-yl)-2-[[3-(phenylsulfonyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]ethanamide

Systemtic Name: N-(5-oxidanylidene-1H-1,2,4-triazol-4-yl)-2-[[3-(phenylsulfonyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]ethanamide Openeye Name: 2-[[3-(benzenesulfonyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]-N-(5-oxo-1H-1,2,4-triazol-4-yl)acetamide CAS Name: 2-[[3-(benzenesulfonyl)-1H-benzimidazol-3-ium-2-yl]thio]-N-(5-oxo-1H-1,2,4-triazol-4-yl)acetamide IUPAC Name: 2-[[3-(benzenesulfonyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]-N-(5-oxo-1H-1,2,4-triazol-4-yl)acetamide Traditional Name: 2-[(3-besyl-1H-benzimidazol-3-ium-2-yl)thio]-N-(5-keto-1H-1,2,4-triazol-4-yl)acetamide Formula: C17H15N6O4S2+ MolecularWeight: 431.4688

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)[N+]2=C(NC3=CC=CC=C32)SCC(=O)NN4C=NNC4=O

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)[N+]2=C(NC3=CC=CC=C32)SCC(=O)NN4C=NNC4=O

InChI

InChI=1S/C17H14N6O4S2/c24-15(21-22-11-18-20-16(22)25)10-28-17-19-13-8-4-5-9-14(13)23(17)29(26,27)12-6-2-1-3-7-12/h1-9,11H,10H2,(H2,20,21,24,25)/p+1