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

Systemtic Name: 3-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methylsulfanyl]propanoic acid Openeye Name: 3-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methylsulfanyl]propanoic acid CAS Name: 3-[[5-methyl-3-(trifluoromethyl)-1-pyrazolyl]methylthio]propanoic acid IUPAC Name: 3-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methylsulfanyl]propanoic acid Traditional Name: 3-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methylthio]propionic acid Formula: C9H11F3N2O2S MolecularWeight: 268.25605

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CSCCC(=O)O)C(F)(F)F

Isomeric SMILES

CC1=CC(=NN1CSCCC(=O)O)C(F)(F)F

InChI

InChI=1S/C9H11F3N2O2S/c1-6-4-7(9(10,11)12)13-14(6)5-17-3-2-8(15)16/h4H,2-3,5H2,1H3,(H,15,16)