2-[6-(4-chlorophenyl)-3-cyano-pyridin-2-yl]sulfanyl-N-phenethyl-ethanamide

Systemtic Name: 2-[6-(4-chlorophenyl)-3-cyano-pyridin-2-yl]sulfanyl-N-phenethyl-ethanamide Openeye Name: 2-[[6-(4-chlorophenyl)-3-cyano-2-pyridyl]sulfanyl]-N-phenethyl-acetamide CAS Name: 2-[[6-(4-chlorophenyl)-3-cyano-2-pyridinyl]thio]-N-phenethylacetamide IUPAC Name: 2-[6-(4-chlorophenyl)-3-cyanopyridin-2-yl]sulfanyl-N-phenethylacetamide Traditional Name: 2-[[6-(4-chlorophenyl)-3-cyano-2-pyridyl]thio]-N-phenethyl-acetamide Formula: C22H18ClN3OS MolecularWeight: 407.91582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)CSC2=C(C=CC(=N2)C3=CC=C(C=C3)Cl)C#N

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)CSC2=C(C=CC(=N2)C3=CC=C(C=C3)Cl)C#N

InChI

InChI=1S/C22H18ClN3OS/c23-19-9-6-17(7-10-19)20-11-8-18(14-24)22(26-20)28-15-21(27)25-13-12-16-4-2-1-3-5-16/h1-11H,12-13,15H2,(H,25,27)