2-(1H-benzimidazol-3-ium-2-ylmethylsulfanyl)-1-(4-chlorophenyl)ethanone

Systemtic Name: 2-(1H-benzimidazol-3-ium-2-ylmethylsulfanyl)-1-(4-chlorophenyl)ethanone Openeye Name: 2-(1H-benzimidazol-3-ium-2-ylmethylsulfanyl)-1-(4-chlorophenyl)ethanone CAS Name: 2-(1H-benzimidazol-3-ium-2-ylmethylthio)-1-(4-chlorophenyl)ethanone IUPAC Name: 2-(1H-benzimidazol-3-ium-2-ylmethylsulfanyl)-1-(4-chlorophenyl)ethanone Traditional Name: 2-(1H-benzimidazol-3-ium-2-ylmethylthio)-1-(4-chlorophenyl)ethanone Formula: C16H14ClN2OS+ MolecularWeight: 317.81316

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=[NH+]2)CSCC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC=C2C(=C1)NC(=[NH+]2)CSCC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H13ClN2OS/c17-12-7-5-11(6-8-12)15(20)9-21-10-16-18-13-3-1-2-4-14(13)19-16/h1-8H,9-10H2,(H,18,19)/p+1