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SMILES: s1c(nc(c1)C(=O)OCC)c1c(cc(cc1)Br)C Canonical SMILES: CCOC(=O)c1csc(n1)c1ccc(cc1C)Br InChI: InChI=1S/C13H12BrNO2S/c1-3-17-13(16)11-7-18-12(15-11)10-5-4-9(14)6-8(10)2/h4-7H,3H2,1-2H3 InChIKey: JUFOENVERKCIMY-UHFFFAOYSA-N
CBID:807466 http://www.chembase.cn/molecule-807466.html