N-(2-cyanoethyl)-2-(4-fluorophenyl)sulfanyl-N-phenyl-propanamide

Systemtic Name: N-(2-cyanoethyl)-2-(4-fluorophenyl)sulfanyl-N-phenyl-propanamide Openeye Name: N-(2-cyanoethyl)-2-(4-fluorophenyl)sulfanyl-N-phenyl-propanamide CAS Name: N-(2-cyanoethyl)-2-[(4-fluorophenyl)thio]-N-phenylpropanamide IUPAC Name: N-(2-cyanoethyl)-2-(4-fluorophenyl)sulfanyl-N-phenylpropanamide Traditional Name: N-(2-cyanoethyl)-2-[(4-fluorophenyl)thio]-N-phenyl-propionamide Formula: C18H17FN2OS MolecularWeight: 328.403783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(CCC#N)C1=CC=CC=C1)SC2=CC=C(C=C2)F

Isomeric SMILES

CC(C(=O)N(CCC#N)C1=CC=CC=C1)SC2=CC=C(C=C2)F

InChI

InChI=1S/C18H17FN2OS/c1-14(23-17-10-8-15(19)9-11-17)18(22)21(13-5-12-20)16-6-3-2-4-7-16/h2-4,6-11,14H,5,13H2,1H3