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

Systemtic Name: 2-[[4-azanyl-5-(5-bromanylfuran-2-yl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-amino-5-(5-bromo-2-furyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-amino-5-(5-bromo-2-furanyl)-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[4-amino-5-(5-bromofuran-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-amino-5-(5-bromo-2-furyl)-1,2,4-triazol-3-yl]thio]acetate Formula: C8H6BrN4O3S- MolecularWeight: 318.12724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H7BrN4O3S/c9-5-2-1-4(16-5)7-11-12-8(13(7)10)17-3-6(14)15/h1-2H,3,10H2,(H,14,15)/p-1