2-phenyl-1-[5-[1-[3-(trifluoromethyl)pyridin-2-yl]sulfanylethyl]pyrazol-1-yl]ethanone

Systemtic Name: 2-phenyl-1-[5-[1-[3-(trifluoromethyl)pyridin-2-yl]sulfanylethyl]pyrazol-1-yl]ethanone Openeye Name: 2-phenyl-1-[5-[1-[[3-(trifluoromethyl)-2-pyridyl]sulfanyl]ethyl]pyrazol-1-yl]ethanone CAS Name: 2-phenyl-1-[5-[1-[[3-(trifluoromethyl)-2-pyridinyl]thio]ethyl]-1-pyrazolyl]ethanone IUPAC Name: 2-phenyl-1-[5-[1-[3-(trifluoromethyl)pyridin-2-yl]sulfanylethyl]pyrazol-1-yl]ethanone Traditional Name: 2-phenyl-1-[5-[1-[[3-(trifluoromethyl)-2-pyridyl]thio]ethyl]pyrazol-1-yl]ethanone Formula: C19H16F3N3OS MolecularWeight: 391.41005

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=NN1C(=O)CC2=CC=CC=C2)SC3=C(C=CC=N3)C(F)(F)F

Isomeric SMILES

CC(C1=CC=NN1C(=O)CC2=CC=CC=C2)SC3=C(C=CC=N3)C(F)(F)F

InChI

InChI=1S/C19H16F3N3OS/c1-13(27-18-15(19(20,21)22)8-5-10-23-18)16-9-11-24-25(16)17(26)12-14-6-3-2-4-7-14/h2-11,13H,12H2,1H3