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

Systemtic Name: 3-[6-(4-bromophenyl)-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanylpropanoic acid Openeye Name: 3-[[6-(4-bromophenyl)-3-cyano-4-(trifluoromethyl)-2-pyridyl]sulfanyl]propanoic acid CAS Name: 3-[[6-(4-bromophenyl)-3-cyano-4-(trifluoromethyl)-2-pyridinyl]thio]propanoic acid IUPAC Name: 3-[6-(4-bromophenyl)-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanylpropanoic acid Traditional Name: 3-[[6-(4-bromophenyl)-3-cyano-4-(trifluoromethyl)-2-pyridyl]thio]propionic acid Formula: C16H10BrF3N2O2S MolecularWeight: 431.22701

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H10BrF3N2O2S/c17-10-3-1-9(2-4-10)13-7-12(16(18,19)20)11(8-21)15(22-13)25-6-5-14(23)24/h1-4,7H,5-6H2,(H,23,24)