5-methyl-N-[2-[2,2,2-tris(fluoranyl)ethylsulfanyl]phenyl]pyrazine-2-carboxamide

Systemtic Name: 5-methyl-N-[2-[2,2,2-tris(fluoranyl)ethylsulfanyl]phenyl]pyrazine-2-carboxamide Openeye Name: 5-methyl-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]pyrazine-2-carboxamide CAS Name: 5-methyl-N-[2-(2,2,2-trifluoroethylthio)phenyl]-2-pyrazinecarboxamide IUPAC Name: 5-methyl-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]pyrazine-2-carboxamide Traditional Name: 5-methyl-N-[2-(2,2,2-trifluoroethylthio)phenyl]pyrazinamide Formula: C14H12F3N3OS MolecularWeight: 327.32479

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N=C1)C(=O)NC2=CC=CC=C2SCC(F)(F)F

Isomeric SMILES

CC1=NC=C(N=C1)C(=O)NC2=CC=CC=C2SCC(F)(F)F

InChI

InChI=1S/C14H12F3N3OS/c1-9-6-19-11(7-18-9)13(21)20-10-4-2-3-5-12(10)22-8-14(15,16)17/h2-7H,8H2,1H3,(H,20,21)