2-[[5-(3-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: 2-[[5-(3-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[5-(3-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-(3-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[5-(3-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-(3-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]acetate Formula: C10H7BrN3O2S- MolecularWeight: 313.15048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)C2=NC(=NN2)SCC(=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)Br)C2=NC(=NN2)SCC(=O)[O-]

InChI

InChI=1S/C10H8BrN3O2S/c11-7-3-1-2-6(4-7)9-12-10(14-13-9)17-5-8(15)16/h1-4H,5H2,(H,15,16)(H,12,13,14)/p-1