4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]sulfanylbenzoate

Systemtic Name: 4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]sulfanylbenzoate Openeye Name: 4-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]sulfanyl]benzoate CAS Name: 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]thio]benzoate IUPAC Name: 4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanylbenzoate Traditional Name: 4-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]thio]benzoate Formula: C13H6ClF3NO2S- MolecularWeight: 332.70545

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)[O-])SC2=C(C=C(C=N2)C(F)(F)F)Cl

Isomeric SMILES

C1=CC(=CC=C1C(=O)[O-])SC2=C(C=C(C=N2)C(F)(F)F)Cl

InChI

InChI=1S/C13H7ClF3NO2S/c14-10-5-8(13(15,16)17)6-18-11(10)21-9-3-1-7(2-4-9)12(19)20/h1-6H,(H,19,20)/p-1