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SMILES: c1([nH]c(nn1)SCC(=O)O)c1c(OCCC)cccc1 Canonical SMILES: CCCOc1ccccc1c1nnc([nH]1)SCC(=O)O InChI: InChI=1S/C13H15N3O3S/c1-2-7-19-10-6-4-3-5-9(10)12-14-13(16-15-12)20-8-11(17)18/h3-6H,2,7-8H2,1H3,(H,17,18)(H,14,15,16) InChIKey: YNFLBEPODGBOGL-UHFFFAOYSA-N
CBID:311128 http://www.chembase.cn/molecule-311128.html