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

Systemtic Name: 2-[6-(4-bromophenyl)-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanylethanoic acid Openeye Name: 2-[[6-(4-bromophenyl)-3-cyano-4-(trifluoromethyl)-2-pyridyl]sulfanyl]acetic acid CAS Name: 2-[[6-(4-bromophenyl)-3-cyano-4-(trifluoromethyl)-2-pyridinyl]thio]acetic acid IUPAC Name: 2-[6-(4-bromophenyl)-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanylacetic acid Traditional Name: 2-[[6-(4-bromophenyl)-3-cyano-4-(trifluoromethyl)-2-pyridyl]thio]acetic acid Formula: C15H8BrF3N2O2S MolecularWeight: 417.20043

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NC(=C(C(=C2)C(F)(F)F)C#N)SCC(=O)O)Br

Isomeric SMILES

C1=CC(=CC=C1C2=NC(=C(C(=C2)C(F)(F)F)C#N)SCC(=O)O)Br

InChI

InChI=1S/C15H8BrF3N2O2S/c16-9-3-1-8(2-4-9)12-5-11(15(17,18)19)10(6-20)14(21-12)24-7-13(22)23/h1-5H,7H2,(H,22,23)