3-[(2-chlorophenyl)methyl]-1H-benzimidazol-3-ium-2-thiol

Systemtic Name: 3-[(2-chlorophenyl)methyl]-1H-benzimidazol-3-ium-2-thiol Openeye Name: 3-[(2-chlorophenyl)methyl]-1H-benzimidazol-3-ium-2-thiol CAS Name: 3-[(2-chlorophenyl)methyl]-1H-benzimidazol-3-ium-2-thiol IUPAC Name: 3-[(2-chlorophenyl)methyl]-1H-benzimidazol-3-ium-2-thiol Traditional Name: 3-(2-chlorobenzyl)-1H-benzimidazol-3-ium-2-thiol Formula: C14H12ClN2S+ MolecularWeight: 275.77648

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C[N+]2=C(NC3=CC=CC=C32)S)Cl

Isomeric SMILES

C1=CC=C(C(=C1)C[N+]2=C(NC3=CC=CC=C32)S)Cl

InChI

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