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

Systemtic Name: 2-[[5-[(4-fluorophenyl)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[5-[(4-fluorophenyl)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-[(4-fluorophenyl)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[5-[(4-fluorophenyl)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-(4-fluorobenzyl)-4-methyl-1,2,4-triazol-3-yl]thio]acetate Formula: C12H11FN3O2S- MolecularWeight: 280.298043

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)[O-])CC2=CC=C(C=C2)F

Isomeric SMILES

CN1C(=NN=C1SCC(=O)[O-])CC2=CC=C(C=C2)F

InChI

InChI=1S/C12H12FN3O2S/c1-16-10(6-8-2-4-9(13)5-3-8)14-15-12(16)19-7-11(17)18/h2-5H,6-7H2,1H3,(H,17,18)/p-1