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

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

Systemtic Name:2-[[3-(phenylmethyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]-N-(pyridin-2-ylmethylideneamino)ethanamide
Openeye Name:2-[(3-benzyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-(2-pyridylmethyleneamino)acetamide
CAS Name:2-[[3-(phenylmethyl)-1H-benzimidazol-3-ium-2-yl]thio]-N-(2-pyridinylmethylideneamino)acetamide
IUPAC Name:2-[(3-benzyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-(pyridin-2-ylmethylideneamino)acetamide
Traditional Name:2-[(3-benzyl-1H-benzimidazol-3-ium-2-yl)thio]-N-(2-pyridylmethyleneamino)acetamide
Formula: C22H20N5OS+
MolecularWeight: 402.4921
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[N+]2=C(NC3=CC=CC=C32)SCC(=O)NN=CC4=CC=CC=N4


Isomeric SMILES

C1=CC=C(C=C1)C[N+]2=C(NC3=CC=CC=C32)SCC(=O)NN=CC4=CC=CC=N4


InChI

InChI=1S/C22H19N5OS/c28-21(26-24-14-18-10-6-7-13-23-18)16-29-22-25-19-11-4-5-12-20(19)27(22)15-17-8-2-1-3-9-17/h1-14H,15-16H2,(H,23,26,28)/p+1


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