2-(1H-benzimidazol-3-ium-2-ylsulfanyl)-N-(pyridin-4-ylmethylideneamino)ethanamide

Systemtic Name: 2-(1H-benzimidazol-3-ium-2-ylsulfanyl)-N-(pyridin-4-ylmethylideneamino)ethanamide Openeye Name: 2-(1H-benzimidazol-3-ium-2-ylsulfanyl)-N-(4-pyridylmethyleneamino)acetamide CAS Name: 2-(1H-benzimidazol-3-ium-2-ylthio)-N-(pyridin-4-ylmethylideneamino)acetamide IUPAC Name: 2-(1H-benzimidazol-3-ium-2-ylsulfanyl)-N-(pyridin-4-ylmethylideneamino)acetamide Traditional Name: 2-(1H-benzimidazol-3-ium-2-ylthio)-N-(4-pyridylmethyleneamino)acetamide Formula: C15H14N5OS+ MolecularWeight: 312.36956

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=[NH+]2)SCC(=O)NN=CC3=CC=NC=C3

Isomeric SMILES

C1=CC=C2C(=C1)NC(=[NH+]2)SCC(=O)NN=CC3=CC=NC=C3

InChI

InChI=1S/C15H13N5OS/c21-14(20-17-9-11-5-7-16-8-6-11)10-22-15-18-12-3-1-2-4-13(12)19-15/h1-9H,10H2,(H,18,19)(H,20,21)/p+1