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SMILES: c12c(c(=O)[nH]cc1C#N)cc(s2)Br Canonical SMILES: N#Cc1c[nH]c(=O)c2c1sc(c2)Br InChI: InChI=1S/C8H3BrN2OS/c9-6-1-5-7(13-6)4(2-10)3-11-8(5)12/h1,3H,(H,11,12) InChIKey: FIAFOJCIZMGXIV-UHFFFAOYSA-N
CBID:65872 http://www.chembase.cn/molecule-65872.html