2-[3-cyano-6-phenyl-4-(trifluoromethyl)pyridin-2-yl]sulfanylpropanoic acid

Systemtic Name: 2-[3-cyano-6-phenyl-4-(trifluoromethyl)pyridin-2-yl]sulfanylpropanoic acid Openeye Name: 2-[[3-cyano-6-phenyl-4-(trifluoromethyl)-2-pyridyl]sulfanyl]propanoic acid CAS Name: 2-[[3-cyano-6-phenyl-4-(trifluoromethyl)-2-pyridinyl]thio]propanoic acid IUPAC Name: 2-[3-cyano-6-phenyl-4-(trifluoromethyl)pyridin-2-yl]sulfanylpropanoic acid Traditional Name: 2-[[3-cyano-6-phenyl-4-(trifluoromethyl)-2-pyridyl]thio]propionic acid Formula: C16H11F3N2O2S MolecularWeight: 352.33095

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SC1=C(C(=CC(=N1)C2=CC=CC=C2)C(F)(F)F)C#N

Isomeric SMILES

CC(C(=O)O)SC1=C(C(=CC(=N1)C2=CC=CC=C2)C(F)(F)F)C#N

InChI

InChI=1S/C16H11F3N2O2S/c1-9(15(22)23)24-14-11(8-20)12(16(17,18)19)7-13(21-14)10-5-3-2-4-6-10/h2-7,9H,1H3,(H,22,23)