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

Systemtic Name: 3-[[4-azanyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate Openeye Name: 3-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate CAS Name: 3-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]thio]propanoate IUPAC Name: 3-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate Traditional Name: 3-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]thio]propionate Formula: C6H6F3N4O2S- MolecularWeight: 255.19765

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C(CSC1=NN=C(N1N)C(F)(F)F)C(=O)[O-]

Isomeric SMILES

C(CSC1=NN=C(N1N)C(F)(F)F)C(=O)[O-]

InChI

InChI=1S/C6H7F3N4O2S/c7-6(8,9)4-11-12-5(13(4)10)16-2-1-3(14)15/h1-2,10H2,(H,14,15)/p-1