2-(pyridin-4-ylmethylsulfanyl)-N-quinolin-8-yl-pyridine-3-carboxamide

Systemtic Name: 2-(pyridin-4-ylmethylsulfanyl)-N-quinolin-8-yl-pyridine-3-carboxamide Openeye Name: 2-(4-pyridylmethylsulfanyl)-N-(8-quinolyl)pyridine-3-carboxamide CAS Name: 2-(pyridin-4-ylmethylthio)-N-(8-quinolinyl)-3-pyridinecarboxamide IUPAC Name: 2-(pyridin-4-ylmethylsulfanyl)-N-quinolin-8-ylpyridine-3-carboxamide Traditional Name: 2-(4-pyridylmethylthio)-N-(8-quinolyl)nicotinamide Formula: C21H16N4OS MolecularWeight: 372.44294

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)NC(=O)C3=C(N=CC=C3)SCC4=CC=NC=C4)N=CC=C2

Isomeric SMILES

C1=CC2=C(C(=C1)NC(=O)C3=C(N=CC=C3)SCC4=CC=NC=C4)N=CC=C2

InChI

InChI=1S/C21H16N4OS/c26-20(25-18-7-1-4-16-5-2-10-23-19(16)18)17-6-3-11-24-21(17)27-14-15-8-12-22-13-9-15/h1-13H,14H2,(H,25,26)