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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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