N-(1H-benzimidazol-2-ylmethyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide

Systemtic Name: N-(1H-benzimidazol-2-ylmethyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide Openeye Name: N-(1H-benzimidazol-2-ylmethyl)-2-(4-pyridylmethylsulfanyl)pyridine-3-carboxamide CAS Name: N-(1H-benzimidazol-2-ylmethyl)-2-(pyridin-4-ylmethylthio)-3-pyridinecarboxamide IUPAC Name: N-(1H-benzimidazol-2-ylmethyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide Traditional Name: N-(1H-benzimidazol-2-ylmethyl)-2-(4-pyridylmethylthio)nicotinamide Formula: C20H17N5OS MolecularWeight: 375.44688

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)CNC(=O)C3=C(N=CC=C3)SCC4=CC=NC=C4

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)CNC(=O)C3=C(N=CC=C3)SCC4=CC=NC=C4

InChI

InChI=1S/C20H17N5OS/c26-19(23-12-18-24-16-5-1-2-6-17(16)25-18)15-4-3-9-22-20(15)27-13-14-7-10-21-11-8-14/h1-11H,12-13H2,(H,23,26)(H,24,25)