N-(2-cyanoethyl)-N-phenyl-2-[5-(trifluoromethyl)pyridin-2-yl]sulfanyl-propanamide

Systemtic Name: N-(2-cyanoethyl)-N-phenyl-2-[5-(trifluoromethyl)pyridin-2-yl]sulfanyl-propanamide Openeye Name: N-(2-cyanoethyl)-N-phenyl-2-[[5-(trifluoromethyl)-2-pyridyl]sulfanyl]propanamide CAS Name: N-(2-cyanoethyl)-N-phenyl-2-[[5-(trifluoromethyl)-2-pyridinyl]thio]propanamide IUPAC Name: N-(2-cyanoethyl)-N-phenyl-2-[5-(trifluoromethyl)pyridin-2-yl]sulfanylpropanamide Traditional Name: N-(2-cyanoethyl)-N-phenyl-2-[[5-(trifluoromethyl)-2-pyridyl]thio]propionamide Formula: C18H16F3N3OS MolecularWeight: 379.39935

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16F3N3OS/c1-13(26-16-9-8-14(12-23-16)18(19,20)21)17(25)24(11-5-10-22)15-6-3-2-4-7-15/h2-4,6-9,12-13H,5,11H2,1H3