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

Systemtic Name: 3-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]sulfanylpropanoate Openeye Name: 3-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]sulfanyl]propanoate CAS Name: 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]thio]propanoate IUPAC Name: 3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanylpropanoate Traditional Name: 3-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]thio]propionate Formula: C9H6ClF3NO2S- MolecularWeight: 284.66265

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=NC(=C1Cl)SCCC(=O)[O-])C(F)(F)F

Isomeric SMILES

C1=C(C=NC(=C1Cl)SCCC(=O)[O-])C(F)(F)F

InChI

InChI=1S/C9H7ClF3NO2S/c10-6-3-5(9(11,12)13)4-14-8(6)17-2-1-7(15)16/h3-4H,1-2H2,(H,15,16)/p-1