2-[[5-(trifluoromethyl)pyridin-2-yl]sulfanylmethyl]benzoate

Systemtic Name: 2-[[5-(trifluoromethyl)pyridin-2-yl]sulfanylmethyl]benzoate Openeye Name: 2-[[5-(trifluoromethyl)-2-pyridyl]sulfanylmethyl]benzoate CAS Name: 2-[[[5-(trifluoromethyl)-2-pyridinyl]thio]methyl]benzoate IUPAC Name: 2-[[5-(trifluoromethyl)pyridin-2-yl]sulfanylmethyl]benzoate Traditional Name: 2-[[[5-(trifluoromethyl)-2-pyridyl]thio]methyl]benzoate Formula: C14H9F3NO2S- MolecularWeight: 312.28697

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSC2=NC=C(C=C2)C(F)(F)F)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)CSC2=NC=C(C=C2)C(F)(F)F)C(=O)[O-]

InChI

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