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

Systemtic Name: 2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]acetic acid Formula: C10H8BrN3O2S MolecularWeight: 314.15842

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=NC(=NN2)SCC(=O)O)Br

Isomeric SMILES

C1=CC=C(C(=C1)C2=NC(=NN2)SCC(=O)O)Br

InChI

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