N-pentan-3-yl-2-(phenylmethylsulfanyl)pyridine-3-carboxamide

Systemtic Name: N-pentan-3-yl-2-(phenylmethylsulfanyl)pyridine-3-carboxamide Openeye Name: 2-benzylsulfanyl-N-(1-ethylpropyl)pyridine-3-carboxamide CAS Name: N-pentan-3-yl-2-(phenylmethylthio)-3-pyridinecarboxamide IUPAC Name: 2-benzylsulfanyl-N-pentan-3-ylpyridine-3-carboxamide Traditional Name: 2-(benzylthio)-N-(1-ethylpropyl)nicotinamide Formula: C18H22N2OS MolecularWeight: 314.44508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2OS/c1-3-15(4-2)20-17(21)16-11-8-12-19-18(16)22-13-14-9-6-5-7-10-14/h5-12,15H,3-4,13H2,1-2H3,(H,20,21)