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

Systemtic Name: 2-[[4-azanyl-5-(5-bromanylthiophen-2-yl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-amino-5-(5-bromo-2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-amino-5-(5-bromo-2-thiophenyl)-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[4-amino-5-(5-bromothiophen-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-amino-5-(5-bromo-2-thienyl)-1,2,4-triazol-3-yl]thio]acetate Formula: C8H6BrN4O2S2- MolecularWeight: 334.19284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H7BrN4O2S2/c9-5-2-1-4(17-5)7-11-12-8(13(7)10)16-3-6(14)15/h1-2H,3,10H2,(H,14,15)/p-1