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

Systemtic Name: 2-[[4-(3-chloranyl-4-fluoranyl-phenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-(3-chloro-4-fluoro-phenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-(3-chloro-4-fluorophenyl)-5-methyl-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[4-(3-chloro-4-fluorophenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-(3-chloro-4-fluoro-phenyl)-5-methyl-1,2,4-triazol-3-yl]thio]acetate Formula: C11H8ClFN3O2S- MolecularWeight: 300.716523

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=CC(=C(C=C2)F)Cl)SCC(=O)[O-]

Isomeric SMILES

CC1=NN=C(N1C2=CC(=C(C=C2)F)Cl)SCC(=O)[O-]

InChI

InChI=1S/C11H9ClFN3O2S/c1-6-14-15-11(19-5-10(17)18)16(6)7-2-3-9(13)8(12)4-7/h2-4H,5H2,1H3,(H,17,18)/p-1