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

Systemtic Name: N-[2-chloranyl-4-(trifluoromethyl)phenyl]-2-pyrimidin-2-ylsulfanyl-ethanamide Openeye Name: N-[2-chloro-4-(trifluoromethyl)phenyl]-2-pyrimidin-2-ylsulfanyl-acetamide CAS Name: N-[2-chloro-4-(trifluoromethyl)phenyl]-2-(2-pyrimidinylthio)acetamide IUPAC Name: N-[2-chloro-4-(trifluoromethyl)phenyl]-2-pyrimidin-2-ylsulfanylacetamide Traditional Name: N-[2-chloro-4-(trifluoromethyl)phenyl]-2-(2-pyrimidylthio)acetamide Formula: C13H9ClF3N3OS MolecularWeight: 347.74327

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1)SCC(=O)NC2=C(C=C(C=C2)C(F)(F)F)Cl

Isomeric SMILES

C1=CN=C(N=C1)SCC(=O)NC2=C(C=C(C=C2)C(F)(F)F)Cl

InChI

InChI=1S/C13H9ClF3N3OS/c14-9-6-8(13(15,16)17)2-3-10(9)20-11(21)7-22-12-18-4-1-5-19-12/h1-6H,7H2,(H,20,21)