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SMILES: s1c(nc(c1)C(=O)OCC)Cc1cc(ccc1)Br Canonical SMILES: CCOC(=O)c1csc(n1)Cc1cccc(c1)Br InChI: InChI=1S/C13H12BrNO2S/c1-2-17-13(16)11-8-18-12(15-11)7-9-4-3-5-10(14)6-9/h3-6,8H,2,7H2,1H3 InChIKey: QYBDMITUHPDCMC-UHFFFAOYSA-N
CBID:799326 http://www.chembase.cn/molecule-799326.html