4-[5-(trifluoromethyl)pyridin-2-yl]sulfanylbenzoic acid

Systemtic Name: 4-[5-(trifluoromethyl)pyridin-2-yl]sulfanylbenzoic acid Openeye Name: 4-[[5-(trifluoromethyl)-2-pyridyl]sulfanyl]benzoic acid CAS Name: 4-[[5-(trifluoromethyl)-2-pyridinyl]thio]benzoic acid IUPAC Name: 4-[5-(trifluoromethyl)pyridin-2-yl]sulfanylbenzoic acid Traditional Name: 4-[[5-(trifluoromethyl)-2-pyridyl]thio]benzoic acid Formula: C13H8F3NO2S MolecularWeight: 299.26833

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)SC2=NC=C(C=C2)C(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)SC2=NC=C(C=C2)C(F)(F)F

InChI

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