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

Systemtic Name: 2-[[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]thio]acetic acid Formula: C5H4F3N3O2S MolecularWeight: 227.16437

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Descriptors Computed from Structure

Canonical SMILES:

C(C(=O)O)SC1=NNC(=N1)C(F)(F)F

Isomeric SMILES

C(C(=O)O)SC1=NNC(=N1)C(F)(F)F

InChI

InChI=1S/C5H4F3N3O2S/c6-5(7,8)3-9-4(11-10-3)14-1-2(12)13/h1H2,(H,12,13)(H,9,10,11)