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

Systemtic Name: 2-[[4-azanyl-5-(5-bromanylpyridin-3-yl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-amino-5-(5-bromo-3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-amino-5-(5-bromo-3-pyridinyl)-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[4-amino-5-(5-bromopyridin-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-amino-5-(5-bromo-3-pyridyl)-1,2,4-triazol-3-yl]thio]acetate Formula: C9H7BrN5O2S- MolecularWeight: 329.15318

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=NC=C1Br)C2=NN=C(N2N)SCC(=O)[O-]

Isomeric SMILES

C1=C(C=NC=C1Br)C2=NN=C(N2N)SCC(=O)[O-]

InChI

InChI=1S/C9H8BrN5O2S/c10-6-1-5(2-12-3-6)8-13-14-9(15(8)11)18-4-7(16)17/h1-3H,4,11H2,(H,16,17)/p-1