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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=NC(=CC2=C1)NC(=O)C3=C(N=CC=C3)SCC4=CC=NC=C4

Isomeric SMILES

C1=CC=C2C=NC(=CC2=C1)NC(=O)C3=C(N=CC=C3)SCC4=CC=NC=C4

InChI

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