2-(2-morpholin-4-ylethylsulfanyl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide

Systemtic Name: 2-(2-morpholin-4-ylethylsulfanyl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide Openeye Name: 2-(2-morpholinoethylsulfanyl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide CAS Name: 2-[2-(4-morpholinyl)ethylthio]-N-[[2-(trifluoromethyl)phenyl]methyl]-3-pyridinecarboxamide IUPAC Name: 2-(2-morpholin-4-ylethylsulfanyl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide Traditional Name: 2-(2-morpholinoethylthio)-N-[2-(trifluoromethyl)benzyl]nicotinamide Formula: C20H22F3N3O2S MolecularWeight: 425.46779

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCSC2=C(C=CC=N2)C(=O)NCC3=CC=CC=C3C(F)(F)F

Isomeric SMILES

C1COCCN1CCSC2=C(C=CC=N2)C(=O)NCC3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C20H22F3N3O2S/c21-20(22,23)17-6-2-1-4-15(17)14-25-18(27)16-5-3-7-24-19(16)29-13-10-26-8-11-28-12-9-26/h1-7H,8-14H2,(H,25,27)