5-(5-bromanylpyridin-3-yl)-4-[4-(trifluoromethyloxy)phenyl]-1,2,4-triazole-3-thiolate

Systemtic Name: 5-(5-bromanylpyridin-3-yl)-4-[4-(trifluoromethyloxy)phenyl]-1,2,4-triazole-3-thiolate Openeye Name: 5-(5-bromo-3-pyridyl)-4-[4-(trifluoromethoxy)phenyl]-1,2,4-triazole-3-thiolate CAS Name: 5-(5-bromo-3-pyridinyl)-4-[4-(trifluoromethoxy)phenyl]-1,2,4-triazole-3-thiolate IUPAC Name: 5-(5-bromopyridin-3-yl)-4-[4-(trifluoromethoxy)phenyl]-1,2,4-triazole-3-thiolate Traditional Name: 5-(5-bromo-3-pyridyl)-4-[4-(trifluoromethoxy)phenyl]-1,2,4-triazole-3-thiolate Formula: C14H7BrF3N4OS- MolecularWeight: 416.19579

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C(=NN=C2[S-])C3=CC(=CN=C3)Br)OC(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1N2C(=NN=C2[S-])C3=CC(=CN=C3)Br)OC(F)(F)F

InChI

InChI=1S/C14H8BrF3N4OS/c15-9-5-8(6-19-7-9)12-20-21-13(24)22(12)10-1-3-11(4-2-10)23-14(16,17)18/h1-7H,(H,21,24)/p-1