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SMILES: c1(c(sc(n1)N)c1ccc(cc1)C#N)C(=O)OC Canonical SMILES: COC(=O)c1nc(sc1c1ccc(cc1)C#N)N InChI: InChI=1S/C12H9N3O2S/c1-17-11(16)9-10(18-12(14)15-9)8-4-2-7(6-13)3-5-8/h2-5H,1H3,(H2,14,15) InChIKey: RKIMWRDVYVWWLZ-UHFFFAOYSA-N
CBID:40171 http://www.chembase.cn/molecule-40171.html