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SMILES: c1(c2nc([nH]c2)S)ccc(cc1)Br Canonical SMILES: Brc1ccc(cc1)c1c[nH]c(n1)S InChI: InChI=1S/C9H7BrN2S/c10-7-3-1-6(2-4-7)8-5-11-9(13)12-8/h1-5H,(H2,11,12,13) InChIKey: DJHSGVUEJWOYDR-UHFFFAOYSA-N
CBID:14381 http://www.chembase.cn/molecule-14381.html