2-[(2-cyanopyridin-4-yl)methylsulfanyl]-N-(3,5-dimethylphenyl)pyridine-3-carboxamide

Systemtic Name: 2-[(2-cyanopyridin-4-yl)methylsulfanyl]-N-(3,5-dimethylphenyl)pyridine-3-carboxamide Openeye Name: 2-[(2-cyano-4-pyridyl)methylsulfanyl]-N-(3,5-dimethylphenyl)pyridine-3-carboxamide CAS Name: 2-[(2-cyano-4-pyridinyl)methylthio]-N-(3,5-dimethylphenyl)-3-pyridinecarboxamide IUPAC Name: 2-[(2-cyanopyridin-4-yl)methylsulfanyl]-N-(3,5-dimethylphenyl)pyridine-3-carboxamide Traditional Name: 2-[(2-cyano-4-pyridyl)methylthio]-N-(3,5-dimethylphenyl)nicotinamide Formula: C21H18N4OS MolecularWeight: 374.45882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)C2=C(N=CC=C2)SCC3=CC(=NC=C3)C#N)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)C2=C(N=CC=C2)SCC3=CC(=NC=C3)C#N)C

InChI

InChI=1S/C21H18N4OS/c1-14-8-15(2)10-17(9-14)25-20(26)19-4-3-6-24-21(19)27-13-16-5-7-23-18(11-16)12-22/h3-11H,13H2,1-2H3,(H,25,26)