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SMILES: s1c(c2c(c1Br)OCCO2)C#N Canonical SMILES: N#Cc1sc(c2c1OCCO2)Br InChI: InChI=1S/C7H4BrNO2S/c8-7-6-5(4(3-9)12-7)10-1-2-11-6/h1-2H2 InChIKey: CNYIRGSQBVJHBW-UHFFFAOYSA-N
CBID:92180 http://www.chembase.cn/molecule-92180.html