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SMILES: s1c(nc(c1C(=O)OCC)CBr)c1ccccn1 Canonical SMILES: CCOC(=O)c1sc(nc1CBr)c1ccccn1 InChI: InChI=1S/C12H11BrN2O2S/c1-2-17-12(16)10-9(7-13)15-11(18-10)8-5-3-4-6-14-8/h3-6H,2,7H2,1H3 InChIKey: RNJKUHUGSBTCRJ-UHFFFAOYSA-N
CBID:32568 http://www.chembase.cn/molecule-32568.html