2-[[3-[(4-chlorophenyl)methyl]-1H-benzimidazol-3-ium-2-yl]sulfanyl]-N-(pyridin-2-ylmethylideneamino)ethanamide

Systemtic Name: 2-[[3-[(4-chlorophenyl)methyl]-1H-benzimidazol-3-ium-2-yl]sulfanyl]-N-(pyridin-2-ylmethylideneamino)ethanamide Openeye Name: 2-[[3-[(4-chlorophenyl)methyl]-1H-benzimidazol-3-ium-2-yl]sulfanyl]-N-(2-pyridylmethyleneamino)acetamide CAS Name: 2-[[3-[(4-chlorophenyl)methyl]-1H-benzimidazol-3-ium-2-yl]thio]-N-(2-pyridinylmethylideneamino)acetamide IUPAC Name: 2-[[3-[(4-chlorophenyl)methyl]-1H-benzimidazol-3-ium-2-yl]sulfanyl]-N-(pyridin-2-ylmethylideneamino)acetamide Traditional Name: 2-[[3-(4-chlorobenzyl)-1H-benzimidazol-3-ium-2-yl]thio]-N-(2-pyridylmethyleneamino)acetamide Formula: C22H19ClN5OS+ MolecularWeight: 436.93716

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=[N+]2CC3=CC=C(C=C3)Cl)SCC(=O)NN=CC4=CC=CC=N4

Isomeric SMILES

C1=CC=C2C(=C1)NC(=[N+]2CC3=CC=C(C=C3)Cl)SCC(=O)NN=CC4=CC=CC=N4

InChI

InChI=1S/C22H18ClN5OS/c23-17-10-8-16(9-11-17)14-28-20-7-2-1-6-19(20)26-22(28)30-15-21(29)27-25-13-18-5-3-4-12-24-18/h1-13H,14-15H2,(H,24,27,29)/p+1