2-[[4-azanyl-5-(3-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: 2-[[4-azanyl-5-(3-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-amino-5-(3-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-amino-5-(3-fluorophenyl)-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[4-amino-5-(3-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-amino-5-(3-fluorophenyl)-1,2,4-triazol-3-yl]thio]acetate Formula: C10H8FN4O2S- MolecularWeight: 267.259523

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)F)C2=NN=C(N2N)SCC(=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)F)C2=NN=C(N2N)SCC(=O)[O-]

InChI

InChI=1S/C10H9FN4O2S/c11-7-3-1-2-6(4-7)9-13-14-10(15(9)12)18-5-8(16)17/h1-4H,5,12H2,(H,16,17)/p-1