2-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]sulfanylbenzoic acid

Systemtic Name: 2-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]sulfanylbenzoic acid Openeye Name: 2-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]sulfanyl]benzoic acid CAS Name: 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]thio]benzoic acid IUPAC Name: 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanylbenzoic acid Traditional Name: 2-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]thio]benzoic acid Formula: C13H7ClF3NO2S MolecularWeight: 333.71339

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)SC2=C(C=C(C=N2)C(F)(F)F)Cl

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)SC2=C(C=C(C=N2)C(F)(F)F)Cl

InChI

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