3-[3-(trifluoromethyl)pyridin-2-yl]sulfanylpropanoate

Systemtic Name: 3-[3-(trifluoromethyl)pyridin-2-yl]sulfanylpropanoate Openeye Name: 3-[[3-(trifluoromethyl)-2-pyridyl]sulfanyl]propanoate CAS Name: 3-[[3-(trifluoromethyl)-2-pyridinyl]thio]propanoate IUPAC Name: 3-[3-(trifluoromethyl)pyridin-2-yl]sulfanylpropanoate Traditional Name: 3-[[3-(trifluoromethyl)-2-pyridyl]thio]propionate Formula: C9H7F3NO2S- MolecularWeight: 250.21759

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)SCCC(=O)[O-])C(F)(F)F

Isomeric SMILES

C1=CC(=C(N=C1)SCCC(=O)[O-])C(F)(F)F

InChI

InChI=1S/C9H8F3NO2S/c10-9(11,12)6-2-1-4-13-8(6)16-5-3-7(14)15/h1-2,4H,3,5H2,(H,14,15)/p-1