N-(2-cyanoethyl)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]-N-phenyl-ethanamide

Systemtic Name: N-(2-cyanoethyl)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]-N-phenyl-ethanamide Openeye Name: N-(2-cyanoethyl)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]-N-phenyl-acetamide CAS Name: N-(2-cyanoethyl)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]thio]-N-phenylacetamide IUPAC Name: N-(2-cyanoethyl)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]-N-phenylacetamide Traditional Name: N-(2-cyanoethyl)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]thio]-N-phenyl-acetamide Formula: C20H17FN4OS MolecularWeight: 380.438583

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(CCC#N)C(=O)CSC2=NC=C(N2)C3=CC=C(C=C3)F

Isomeric SMILES

C1=CC=C(C=C1)N(CCC#N)C(=O)CSC2=NC=C(N2)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H17FN4OS/c21-16-9-7-15(8-10-16)18-13-23-20(24-18)27-14-19(26)25(12-4-11-22)17-5-2-1-3-6-17/h1-3,5-10,13H,4,12,14H2,(H,23,24)