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

Systemtic Name: 2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-(1,2,4-triazol-4-yl)ethanamide Openeye Name: 2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-(1,2,4-triazol-4-yl)acetamide CAS Name: 2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)thio]-N-(1,2,4-triazol-4-yl)acetamide IUPAC Name: 2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-(1,2,4-triazol-4-yl)acetamide Traditional Name: 2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)thio]-N-(1,2,4-triazol-4-yl)acetamide Formula: C12H13N6OS+ MolecularWeight: 289.33622

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(NC2=CC=CC=C21)SCC(=O)NN3C=NN=C3

Isomeric SMILES

C[N+]1=C(NC2=CC=CC=C21)SCC(=O)NN3C=NN=C3

InChI

InChI=1S/C12H12N6OS/c1-17-10-5-3-2-4-9(10)15-12(17)20-6-11(19)16-18-7-13-14-8-18/h2-5,7-8H,6H2,1H3,(H,16,19)/p+1