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

Systemtic Name: 2-[3-cyano-4-thiophen-2-yl-6-(trifluoromethyl)pyridin-2-yl]sulfanylethanoic acid Openeye Name: 2-[[3-cyano-4-(2-thienyl)-6-(trifluoromethyl)-2-pyridyl]sulfanyl]acetic acid CAS Name: 2-[[3-cyano-4-thiophen-2-yl-6-(trifluoromethyl)-2-pyridinyl]thio]acetic acid IUPAC Name: 2-[3-cyano-4-thiophen-2-yl-6-(trifluoromethyl)pyridin-2-yl]sulfanylacetic acid Traditional Name: 2-[[3-cyano-4-(2-thienyl)-6-(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=CC(=NC(=C2C#N)SCC(=O)O)C(F)(F)F

Isomeric SMILES

C1=CSC(=C1)C2=CC(=NC(=C2C#N)SCC(=O)O)C(F)(F)F

InChI

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