3-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-phenethyl-propanamide

Systemtic Name: 3-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-phenethyl-propanamide Openeye Name: 3-[4-(2-furyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-phenethyl-propanamide CAS Name: 3-[[4-(2-furanyl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]-N-phenethylpropanamide IUPAC Name: 3-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-phenethylpropanamide Traditional Name: 3-[[4-(2-furyl)-6-(trifluoromethyl)pyrimidin-2-yl]thio]-N-phenethyl-propionamide Formula: C20H18F3N3O2S MolecularWeight: 421.43603

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)CCSC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CO3

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)CCSC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CO3

InChI

InChI=1S/C20H18F3N3O2S/c21-20(22,23)17-13-15(16-7-4-11-28-16)25-19(26-17)29-12-9-18(27)24-10-8-14-5-2-1-3-6-14/h1-7,11,13H,8-10,12H2,(H,24,27)