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

Systemtic Name: N-(2-cyanoethyl)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]-N-phenyl-propanamide Openeye Name: N-(2-cyanoethyl)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]-N-phenyl-propanamide CAS Name: N-(2-cyanoethyl)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]thio]-N-phenylpropanamide IUPAC Name: N-(2-cyanoethyl)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]-N-phenylpropanamide Traditional Name: N-(2-cyanoethyl)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]thio]-N-phenyl-propionamide Formula: C21H19FN4OS MolecularWeight: 394.465163

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(CCC#N)C1=CC=CC=C1)SC2=NC=C(N2)C3=CC=C(C=C3)F

Isomeric SMILES

CC(C(=O)N(CCC#N)C1=CC=CC=C1)SC2=NC=C(N2)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H19FN4OS/c1-15(20(27)26(13-5-12-23)18-6-3-2-4-7-18)28-21-24-14-19(25-21)16-8-10-17(22)11-9-16/h2-4,6-11,14-15H,5,13H2,1H3,(H,24,25)