N-(2,2-dimethylpropyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide

Systemtic Name: N-(2,2-dimethylpropyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide Openeye Name: N-(2,2-dimethylpropyl)-2-(4-pyridylmethylsulfanyl)pyridine-3-carboxamide CAS Name: N-(2,2-dimethylpropyl)-2-(pyridin-4-ylmethylthio)-3-pyridinecarboxamide IUPAC Name: N-(2,2-dimethylpropyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide Traditional Name: N-neopentyl-2-(4-pyridylmethylthio)nicotinamide Formula: C17H21N3OS MolecularWeight: 315.43314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CNC(=O)C1=C(N=CC=C1)SCC2=CC=NC=C2

Isomeric SMILES

CC(C)(C)CNC(=O)C1=C(N=CC=C1)SCC2=CC=NC=C2

InChI

InChI=1S/C17H21N3OS/c1-17(2,3)12-20-15(21)14-5-4-8-19-16(14)22-11-13-6-9-18-10-7-13/h4-10H,11-12H2,1-3H3,(H,20,21)