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

Systemtic Name: 2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-(5-oxidanylidene-1H-1,2,4-triazol-4-yl)ethanamide Openeye Name: 2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-(5-oxo-1H-1,2,4-triazol-4-yl)acetamide CAS Name: 2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)thio]-N-(5-oxo-1H-1,2,4-triazol-4-yl)acetamide IUPAC Name: 2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-(5-oxo-1H-1,2,4-triazol-4-yl)acetamide Traditional Name: N-(5-keto-1H-1,2,4-triazol-4-yl)-2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)thio]acetamide Formula: C12H13N6O2S+ MolecularWeight: 305.33562

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(NC2=CC=CC=C21)SCC(=O)NN3C=NNC3=O

Isomeric SMILES

C[N+]1=C(NC2=CC=CC=C21)SCC(=O)NN3C=NNC3=O

InChI

InChI=1S/C12H12N6O2S/c1-17-9-5-3-2-4-8(9)14-12(17)21-6-10(19)16-18-7-13-15-11(18)20/h2-5,7H,6H2,1H3,(H2,15,16,19,20)/p+1