4-[5-(trifluoromethyl)pyridin-2-yl]sulfanylbutanoate

Systemtic Name: 4-[5-(trifluoromethyl)pyridin-2-yl]sulfanylbutanoate Openeye Name: 4-[[5-(trifluoromethyl)-2-pyridyl]sulfanyl]butanoate CAS Name: 4-[[5-(trifluoromethyl)-2-pyridinyl]thio]butanoate IUPAC Name: 4-[5-(trifluoromethyl)pyridin-2-yl]sulfanylbutanoate Traditional Name: 4-[[5-(trifluoromethyl)-2-pyridyl]thio]butyrate Formula: C10H9F3NO2S- MolecularWeight: 264.24417

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=NC=C1C(F)(F)F)SCCCC(=O)[O-]

Isomeric SMILES

C1=CC(=NC=C1C(F)(F)F)SCCCC(=O)[O-]

InChI

InChI=1S/C10H10F3NO2S/c11-10(12,13)7-3-4-8(14-6-7)17-5-1-2-9(15)16/h3-4,6H,1-2,5H2,(H,15,16)/p-1