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

Systemtic Name: 2-azanyl-3-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methylsulfanyl]propanoic acid Openeye Name: 2-amino-3-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methylsulfanyl]propanoic acid CAS Name: 2-amino-3-[[5-methyl-3-(trifluoromethyl)-1-pyrazolyl]methylthio]propanoic acid IUPAC Name: 2-amino-3-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methylsulfanyl]propanoic acid Traditional Name: 2-amino-3-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methylthio]propionic acid Formula: C9H12F3N3O2S MolecularWeight: 283.27069

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H12F3N3O2S/c1-5-2-7(9(10,11)12)14-15(5)4-18-3-6(13)8(16)17/h2,6H,3-4,13H2,1H3,(H,16,17)