2-[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)pyridin-2-yl]sulfanylethanoic acid

Systemtic Name: 2-[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)pyridin-2-yl]sulfanylethanoic acid Openeye Name: 2-[[3-cyano-6-(2-thienyl)-4-(trifluoromethyl)-2-pyridyl]sulfanyl]acetic acid CAS Name: 2-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]thio]acetic acid IUPAC Name: 2-[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)pyridin-2-yl]sulfanylacetic acid Traditional Name: 2-[[3-cyano-6-(2-thienyl)-4-(trifluoromethyl)-2-pyridyl]thio]acetic acid Formula: C13H7F3N2O2S2 MolecularWeight: 344.33209

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=NC(=C(C(=C2)C(F)(F)F)C#N)SCC(=O)O

Isomeric SMILES

C1=CSC(=C1)C2=NC(=C(C(=C2)C(F)(F)F)C#N)SCC(=O)O

InChI

InChI=1S/C13H7F3N2O2S2/c14-13(15,16)8-4-9(10-2-1-3-21-10)18-12(7(8)5-17)22-6-11(19)20/h1-4H,6H2,(H,19,20)