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

Systemtic Name: 2-[[3-[(4-methylphenyl)methyl]-1H-benzimidazol-3-ium-2-yl]sulfanyl]-N-(pyridin-4-ylmethylideneamino)ethanamide Openeye Name: 2-[[3-(p-tolylmethyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]-N-(4-pyridylmethyleneamino)acetamide CAS Name: 2-[[3-[(4-methylphenyl)methyl]-1H-benzimidazol-3-ium-2-yl]thio]-N-(pyridin-4-ylmethylideneamino)acetamide IUPAC Name: 2-[[3-[(4-methylphenyl)methyl]-1H-benzimidazol-3-ium-2-yl]sulfanyl]-N-(pyridin-4-ylmethylideneamino)acetamide Traditional Name: 2-[[3-(4-methylbenzyl)-1H-benzimidazol-3-ium-2-yl]thio]-N-(4-pyridylmethyleneamino)acetamide Formula: C23H22N5OS+ MolecularWeight: 416.51868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[N+]2=C(NC3=CC=CC=C32)SCC(=O)NN=CC4=CC=NC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C[N+]2=C(NC3=CC=CC=C32)SCC(=O)NN=CC4=CC=NC=C4

InChI

InChI=1S/C23H21N5OS/c1-17-6-8-19(9-7-17)15-28-21-5-3-2-4-20(21)26-23(28)30-16-22(29)27-25-14-18-10-12-24-13-11-18/h2-14H,15-16H2,1H3,(H,24,27,29)/p+1