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

Systemtic Name: N-(5-oxidanylidene-1H-1,2,4-triazol-4-yl)-2-[[3-(phenylmethyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]ethanamide Openeye Name: 2-[(3-benzyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-(5-oxo-1H-1,2,4-triazol-4-yl)acetamide CAS Name: N-(5-oxo-1H-1,2,4-triazol-4-yl)-2-[[3-(phenylmethyl)-1H-benzimidazol-3-ium-2-yl]thio]acetamide IUPAC Name: 2-[(3-benzyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-(5-oxo-1H-1,2,4-triazol-4-yl)acetamide Traditional Name: 2-[(3-benzyl-1H-benzimidazol-3-ium-2-yl)thio]-N-(5-keto-1H-1,2,4-triazol-4-yl)acetamide Formula: C18H17N6O2S+ MolecularWeight: 381.43158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N6O2S/c25-16(22-24-12-19-21-17(24)26)11-27-18-20-14-8-4-5-9-15(14)23(18)10-13-6-2-1-3-7-13/h1-9,12H,10-11H2,(H2,21,22,25,26)/p+1