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

Systemtic Name: 2-[[4-azanyl-5-(2-bromanyl-5-fluoranyl-phenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-amino-5-(2-bromo-5-fluoro-phenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-amino-5-(2-bromo-5-fluorophenyl)-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[4-amino-5-(2-bromo-5-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-amino-5-(2-bromo-5-fluoro-phenyl)-1,2,4-triazol-3-yl]thio]acetate Formula: C10H7BrFN4O2S- MolecularWeight: 346.155583

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1F)C2=NN=C(N2N)SCC(=O)[O-])Br

Isomeric SMILES

C1=CC(=C(C=C1F)C2=NN=C(N2N)SCC(=O)[O-])Br

InChI

InChI=1S/C10H8BrFN4O2S/c11-7-2-1-5(12)3-6(7)9-14-15-10(16(9)13)19-4-8(17)18/h1-3H,4,13H2,(H,17,18)/p-1