2-[(4-chlorophenyl)methylsulfanyl]-1H-benzimidazol-3-ium chloride

Systemtic Name: 2-[(4-chlorophenyl)methylsulfanyl]-1H-benzimidazol-3-ium chloride Openeye Name: 2-[(4-chlorophenyl)methylsulfanyl]-1H-benzimidazol-3-ium chloride CAS Name: 2-[(4-chlorophenyl)methylthio]-1H-benzimidazol-3-ium chloride IUPAC Name: 2-[(4-chlorophenyl)methylsulfanyl]-1H-benzimidazol-3-ium chloride Traditional Name: 2-[(4-chlorobenzyl)thio]-1H-benzimidazol-3-ium chloride Formula: C14H12Cl2N2S MolecularWeight: 311.22948

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=[NH+]2)SCC3=CC=C(C=C3)Cl.[Cl-]

Isomeric SMILES

C1=CC=C2C(=C1)NC(=[NH+]2)SCC3=CC=C(C=C3)Cl.[Cl-]

InChI

InChI=1S/C14H11ClN2S.ClH/c15-11-7-5-10(6-8-11)9-18-14-16-12-3-1-2-4-13(12)17-14;/h1-8H,9H2,(H,16,17);1H