2-[(2-chloranylpyridin-4-yl)methylsulfanyl]-N-(3-propan-2-ylphenyl)pyridine-3-carboxamide

Systemtic Name: 2-[(2-chloranylpyridin-4-yl)methylsulfanyl]-N-(3-propan-2-ylphenyl)pyridine-3-carboxamide Openeye Name: 2-[(2-chloro-4-pyridyl)methylsulfanyl]-N-(3-isopropylphenyl)pyridine-3-carboxamide CAS Name: 2-[(2-chloro-4-pyridinyl)methylthio]-N-(3-propan-2-ylphenyl)-3-pyridinecarboxamide IUPAC Name: 2-[(2-chloropyridin-4-yl)methylsulfanyl]-N-(3-propan-2-ylphenyl)pyridine-3-carboxamide Traditional Name: 2-[(2-chloro-4-pyridyl)methylthio]-N-m-cumenyl-nicotinamide Formula: C21H20ClN3OS MolecularWeight: 397.921

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClN3OS/c1-14(2)16-5-3-6-17(12-16)25-20(26)18-7-4-9-24-21(18)27-13-15-8-10-23-19(22)11-15/h3-12,14H,13H2,1-2H3,(H,25,26)