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

Systemtic Name: 2-[[3-(phenylsulfonyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]-N-(1,2,4-triazol-4-yl)ethanamide Openeye Name: 2-[[3-(benzenesulfonyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]-N-(1,2,4-triazol-4-yl)acetamide CAS Name: 2-[[3-(benzenesulfonyl)-1H-benzimidazol-3-ium-2-yl]thio]-N-(1,2,4-triazol-4-yl)acetamide IUPAC Name: 2-[[3-(benzenesulfonyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]-N-(1,2,4-triazol-4-yl)acetamide Traditional Name: 2-[(3-besyl-1H-benzimidazol-3-ium-2-yl)thio]-N-(1,2,4-triazol-4-yl)acetamide Formula: C17H15N6O3S2+ MolecularWeight: 415.4694

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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=NN=C4

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)[N+]2=C(NC3=CC=CC=C32)SCC(=O)NN4C=NN=C4

InChI

InChI=1S/C17H14N6O3S2/c24-16(21-22-11-18-19-12-22)10-27-17-20-14-8-4-5-9-15(14)23(17)28(25,26)13-6-2-1-3-7-13/h1-9,11-12H,10H2,(H,21,24)/p+1