2-[(2-chlorophenyl)methylsulfanyl]-N-heptyl-pyridine-3-carboxamide

Systemtic Name: 2-[(2-chlorophenyl)methylsulfanyl]-N-heptyl-pyridine-3-carboxamide Openeye Name: 2-[(2-chlorophenyl)methylsulfanyl]-N-heptyl-pyridine-3-carboxamide CAS Name: 2-[(2-chlorophenyl)methylthio]-N-heptyl-3-pyridinecarboxamide IUPAC Name: 2-[(2-chlorophenyl)methylsulfanyl]-N-heptylpyridine-3-carboxamide Traditional Name: 2-[(2-chlorobenzyl)thio]-N-heptyl-nicotinamide Formula: C20H25ClN2OS MolecularWeight: 376.9433

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNC(=O)C1=C(N=CC=C1)SCC2=CC=CC=C2Cl

Isomeric SMILES

CCCCCCCNC(=O)C1=C(N=CC=C1)SCC2=CC=CC=C2Cl

InChI

InChI=1S/C20H25ClN2OS/c1-2-3-4-5-8-13-22-19(24)17-11-9-14-23-20(17)25-15-16-10-6-7-12-18(16)21/h6-7,9-12,14H,2-5,8,13,15H2,1H3,(H,22,24)