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SMILES: n1(c(nnc1)SCC(=O)O)c1cc(Cl)ccc1 Canonical SMILES: OC(=O)CSc1nncn1c1cccc(c1)Cl InChI: InChI=1S/C10H8ClN3O2S/c11-7-2-1-3-8(4-7)14-6-12-13-10(14)17-5-9(15)16/h1-4,6H,5H2,(H,15,16) InChIKey: PAHLYSDTLRDXMN-UHFFFAOYSA-N
CBID:253010 http://www.chembase.cn/molecule-253010.html