3-[[5-(trifluoromethyl)pyridin-2-yl]sulfanylmethyl]benzoic acid

Systemtic Name: 3-[[5-(trifluoromethyl)pyridin-2-yl]sulfanylmethyl]benzoic acid Openeye Name: 3-[[5-(trifluoromethyl)-2-pyridyl]sulfanylmethyl]benzoic acid CAS Name: 3-[[[5-(trifluoromethyl)-2-pyridinyl]thio]methyl]benzoic acid IUPAC Name: 3-[[5-(trifluoromethyl)pyridin-2-yl]sulfanylmethyl]benzoic acid Traditional Name: 3-[[[5-(trifluoromethyl)-2-pyridyl]thio]methyl]benzoic acid Formula: C14H10F3NO2S MolecularWeight: 313.29491

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CSC2=NC=C(C=C2)C(F)(F)F)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)CSC2=NC=C(C=C2)C(F)(F)F)C(=O)O

InChI

InChI=1S/C14H10F3NO2S/c15-14(16,17)11-4-5-12(18-7-11)21-8-9-2-1-3-10(6-9)13(19)20/h1-7H,8H2,(H,19,20)