2-(1H-benzimidazol-3-ium-2-ylmethylsulfanyl)-1-phenyl-ethanone

Systemtic Name: 2-(1H-benzimidazol-3-ium-2-ylmethylsulfanyl)-1-phenyl-ethanone Openeye Name: 2-(1H-benzimidazol-3-ium-2-ylmethylsulfanyl)-1-phenyl-ethanone CAS Name: 2-(1H-benzimidazol-3-ium-2-ylmethylthio)-1-phenylethanone IUPAC Name: 2-(1H-benzimidazol-3-ium-2-ylmethylsulfanyl)-1-phenylethanone Traditional Name: 2-(1H-benzimidazol-3-ium-2-ylmethylthio)-1-phenyl-ethanone Formula: C16H15N2OS+ MolecularWeight: 283.3681

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CSCC2=[NH+]C3=CC=CC=C3N2

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CSCC2=[NH+]C3=CC=CC=C3N2

InChI

InChI=1S/C16H14N2OS/c19-15(12-6-2-1-3-7-12)10-20-11-16-17-13-8-4-5-9-14(13)18-16/h1-9H,10-11H2,(H,17,18)/p+1