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

Systemtic Name: 2-[[3-(phenylmethyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]-N-(1,2,4-triazol-4-yl)ethanamide Openeye Name: 2-[(3-benzyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-(1,2,4-triazol-4-yl)acetamide CAS Name: 2-[[3-(phenylmethyl)-1H-benzimidazol-3-ium-2-yl]thio]-N-(1,2,4-triazol-4-yl)acetamide IUPAC Name: 2-[(3-benzyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-(1,2,4-triazol-4-yl)acetamide Traditional Name: 2-[(3-benzyl-1H-benzimidazol-3-ium-2-yl)thio]-N-(1,2,4-triazol-4-yl)acetamide Formula: C18H17N6OS+ MolecularWeight: 365.43218

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N6OS/c25-17(22-23-12-19-20-13-23)11-26-18-21-15-8-4-5-9-16(15)24(18)10-14-6-2-1-3-7-14/h1-9,12-13H,10-11H2,(H,22,25)/p+1