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SMILES: c1cc(ccc1c1csc(n1)CC#N)Br Canonical SMILES: N#CCc1scc(n1)c1ccc(cc1)Br InChI: InChI=1S/C11H7BrN2S/c12-9-3-1-8(2-4-9)10-7-15-11(14-10)5-6-13/h1-4,7H,5H2 InChIKey: VBHJUUAUIGGAPS-UHFFFAOYSA-N
CBID:142675 http://www.chembase.cn/molecule-142675.html