N-[4-chloranyl-3-(trifluoromethyl)phenyl]-2-pyrimidin-2-ylsulfanyl-propanamide

Systemtic Name: N-[4-chloranyl-3-(trifluoromethyl)phenyl]-2-pyrimidin-2-ylsulfanyl-propanamide Openeye Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-2-pyrimidin-2-ylsulfanyl-propanamide CAS Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2-pyrimidinylthio)propanamide IUPAC Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-2-pyrimidin-2-ylsulfanylpropanamide Traditional Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2-pyrimidylthio)propionamide Formula: C14H11ClF3N3OS MolecularWeight: 361.76985

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)Cl)C(F)(F)F)SC2=NC=CC=N2

Isomeric SMILES

CC(C(=O)NC1=CC(=C(C=C1)Cl)C(F)(F)F)SC2=NC=CC=N2

InChI

InChI=1S/C14H11ClF3N3OS/c1-8(23-13-19-5-2-6-20-13)12(22)21-9-3-4-11(15)10(7-9)14(16,17)18/h2-8H,1H3,(H,21,22)