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

Systemtic Name: 2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-(pyridin-4-ylmethylideneamino)ethanamide Openeye Name: 2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-(4-pyridylmethyleneamino)acetamide CAS Name: 2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)thio]-N-(pyridin-4-ylmethylideneamino)acetamide IUPAC Name: 2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-(pyridin-4-ylmethylideneamino)acetamide Traditional Name: 2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)thio]-N-(4-pyridylmethyleneamino)acetamide Formula: C16H16N5OS+ MolecularWeight: 326.39614

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(NC2=CC=CC=C21)SCC(=O)NN=CC3=CC=NC=C3

Isomeric SMILES

C[N+]1=C(NC2=CC=CC=C21)SCC(=O)NN=CC3=CC=NC=C3

InChI

InChI=1S/C16H15N5OS/c1-21-14-5-3-2-4-13(14)19-16(21)23-11-15(22)20-18-10-12-6-8-17-9-7-12/h2-10H,11H2,1H3,(H,17,20,22)/p+1