2-[4-chloranyl-3-(trifluoromethyl)phenyl]sulfanyl-N-(2-cyanoethyl)-N-phenyl-propanamide

Systemtic Name: 2-[4-chloranyl-3-(trifluoromethyl)phenyl]sulfanyl-N-(2-cyanoethyl)-N-phenyl-propanamide Openeye Name: 2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-N-(2-cyanoethyl)-N-phenyl-propanamide CAS Name: 2-[[4-chloro-3-(trifluoromethyl)phenyl]thio]-N-(2-cyanoethyl)-N-phenylpropanamide IUPAC Name: 2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-N-(2-cyanoethyl)-N-phenylpropanamide Traditional Name: 2-[[4-chloro-3-(trifluoromethyl)phenyl]thio]-N-(2-cyanoethyl)-N-phenyl-propionamide Formula: C19H16ClF3N2OS MolecularWeight: 412.85635

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16ClF3N2OS/c1-13(27-15-8-9-17(20)16(12-15)19(21,22)23)18(26)25(11-5-10-24)14-6-3-2-4-7-14/h2-4,6-9,12-13H,5,11H2,1H3