N-(4-morpholin-4-ylphenyl)-3-[5-(trifluoromethyl)pyridin-2-yl]sulfanyl-propanamide

Systemtic Name: N-(4-morpholin-4-ylphenyl)-3-[5-(trifluoromethyl)pyridin-2-yl]sulfanyl-propanamide Openeye Name: N-(4-morpholinophenyl)-3-[[5-(trifluoromethyl)-2-pyridyl]sulfanyl]propanamide CAS Name: N-[4-(4-morpholinyl)phenyl]-3-[[5-(trifluoromethyl)-2-pyridinyl]thio]propanamide IUPAC Name: N-(4-morpholin-4-ylphenyl)-3-[5-(trifluoromethyl)pyridin-2-yl]sulfanylpropanamide Traditional Name: N-(4-morpholinophenyl)-3-[[5-(trifluoromethyl)-2-pyridyl]thio]propionamide Formula: C19H20F3N3O2S MolecularWeight: 411.44121

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC=C(C=C2)NC(=O)CCSC3=NC=C(C=C3)C(F)(F)F

Isomeric SMILES

C1COCCN1C2=CC=C(C=C2)NC(=O)CCSC3=NC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C19H20F3N3O2S/c20-19(21,22)14-1-6-18(23-13-14)28-12-7-17(26)24-15-2-4-16(5-3-15)25-8-10-27-11-9-25/h1-6,13H,7-12H2,(H,24,26)