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

Systemtic Name: 2-[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-2-phenyl-ethanoic acid Openeye Name: 2-[[3-cyano-6-(2-thienyl)-4-(trifluoromethyl)-2-pyridyl]sulfanyl]-2-phenyl-acetic acid CAS Name: 2-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]thio]-2-phenylacetic acid IUPAC Name: 2-[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-2-phenylacetic acid Traditional Name: 2-[[3-cyano-6-(2-thienyl)-4-(trifluoromethyl)-2-pyridyl]thio]-2-phenyl-acetic acid Formula: C19H11F3N2O2S2 MolecularWeight: 420.42805

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)O)SC2=C(C(=CC(=N2)C3=CC=CS3)C(F)(F)F)C#N

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)O)SC2=C(C(=CC(=N2)C3=CC=CS3)C(F)(F)F)C#N

InChI

InChI=1S/C19H11F3N2O2S2/c20-19(21,22)13-9-14(15-7-4-8-27-15)24-17(12(13)10-23)28-16(18(25)26)11-5-2-1-3-6-11/h1-9,16H,(H,25,26)