4-pyrimidin-2-yl-N-[2-[2,2,2-tris(fluoranyl)ethylsulfanyl]phenyl]piperazine-1-carboxamide

Systemtic Name: 4-pyrimidin-2-yl-N-[2-[2,2,2-tris(fluoranyl)ethylsulfanyl]phenyl]piperazine-1-carboxamide Openeye Name: 4-pyrimidin-2-yl-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]piperazine-1-carboxamide CAS Name: 4-(2-pyrimidinyl)-N-[2-(2,2,2-trifluoroethylthio)phenyl]-1-piperazinecarboxamide IUPAC Name: 4-pyrimidin-2-yl-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]piperazine-1-carboxamide Traditional Name: 4-(2-pyrimidyl)-N-[2-(2,2,2-trifluoroethylthio)phenyl]piperazine-1-carboxamide Formula: C17H18F3N5OS MolecularWeight: 397.41793

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)NC3=CC=CC=C3SCC(F)(F)F

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)NC3=CC=CC=C3SCC(F)(F)F

InChI

InChI=1S/C17H18F3N5OS/c18-17(19,20)12-27-14-5-2-1-4-13(14)23-16(26)25-10-8-24(9-11-25)15-21-6-3-7-22-15/h1-7H,8-12H2,(H,23,26)