2-[6-(4-bromophenyl)-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-2-phenyl-ethanoic acid

Systemtic Name: 2-[6-(4-bromophenyl)-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-2-phenyl-ethanoic acid Openeye Name: 2-[[6-(4-bromophenyl)-3-cyano-4-(trifluoromethyl)-2-pyridyl]sulfanyl]-2-phenyl-acetic acid CAS Name: 2-[[6-(4-bromophenyl)-3-cyano-4-(trifluoromethyl)-2-pyridinyl]thio]-2-phenylacetic acid IUPAC Name: 2-[6-(4-bromophenyl)-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-2-phenylacetic acid Traditional Name: 2-[[6-(4-bromophenyl)-3-cyano-4-(trifluoromethyl)-2-pyridyl]thio]-2-phenyl-acetic acid Formula: C21H12BrF3N2O2S MolecularWeight: 493.29639

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)O)SC2=C(C(=CC(=N2)C3=CC=C(C=C3)Br)C(F)(F)F)C#N

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)O)SC2=C(C(=CC(=N2)C3=CC=C(C=C3)Br)C(F)(F)F)C#N

InChI

InChI=1S/C21H12BrF3N2O2S/c22-14-8-6-12(7-9-14)17-10-16(21(23,24)25)15(11-26)19(27-17)30-18(20(28)29)13-4-2-1-3-5-13/h1-10,18H,(H,28,29)