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SMILES: n1(c(nnc1)SCC(=O)O)c1ccc(cc1)C Canonical SMILES: OC(=O)CSc1nncn1c1ccc(cc1)C InChI: InChI=1S/C11H11N3O2S/c1-8-2-4-9(5-3-8)14-7-12-13-11(14)17-6-10(15)16/h2-5,7H,6H2,1H3,(H,15,16) InChIKey: OPABJFZZJANABC-UHFFFAOYSA-N
CBID:253006 http://www.chembase.cn/molecule-253006.html