4-[3-(trifluoromethyl)pyridin-2-yl]sulfanylbenzoate

Systemtic Name: 4-[3-(trifluoromethyl)pyridin-2-yl]sulfanylbenzoate Openeye Name: 4-[[3-(trifluoromethyl)-2-pyridyl]sulfanyl]benzoate CAS Name: 4-[[3-(trifluoromethyl)-2-pyridinyl]thio]benzoate IUPAC Name: 4-[3-(trifluoromethyl)pyridin-2-yl]sulfanylbenzoate Traditional Name: 4-[[3-(trifluoromethyl)-2-pyridyl]thio]benzoate Formula: C13H7F3NO2S- MolecularWeight: 298.26039

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)SC2=CC=C(C=C2)C(=O)[O-])C(F)(F)F

Isomeric SMILES

C1=CC(=C(N=C1)SC2=CC=C(C=C2)C(=O)[O-])C(F)(F)F

InChI

InChI=1S/C13H8F3NO2S/c14-13(15,16)10-2-1-7-17-11(10)20-9-5-3-8(4-6-9)12(18)19/h1-7H,(H,18,19)/p-1