2-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methylsulfanyl]ethanoic acid

Systemtic Name: 2-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methylsulfanyl]ethanoic acid Openeye Name: 2-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methylsulfanyl]acetic acid CAS Name: 2-[[5-methyl-3-(trifluoromethyl)-1-pyrazolyl]methylthio]acetic acid IUPAC Name: 2-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methylsulfanyl]acetic acid Traditional Name: 2-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methylthio]acetic acid Formula: C8H9F3N2O2S MolecularWeight: 254.22947

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CSCC(=O)O)C(F)(F)F

Isomeric SMILES

CC1=CC(=NN1CSCC(=O)O)C(F)(F)F

InChI

InChI=1S/C8H9F3N2O2S/c1-5-2-6(8(9,10)11)12-13(5)4-16-3-7(14)15/h2H,3-4H2,1H3,(H,14,15)