2-[[4-azanyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[4-azanyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]thio]acetic acid Formula: C5H5F3N4O2S MolecularWeight: 242.17901

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Descriptors Computed from Structure

Canonical SMILES:

C(C(=O)O)SC1=NN=C(N1N)C(F)(F)F

Isomeric SMILES

C(C(=O)O)SC1=NN=C(N1N)C(F)(F)F

InChI

InChI=1S/C5H5F3N4O2S/c6-5(7,8)3-10-11-4(12(3)9)15-1-2(13)14/h1,9H2,(H,13,14)