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SMILES: c1(ncc(cn1)C=O)SCCCC Canonical SMILES: CCCCSc1ncc(cn1)C=O InChI: InChI=1S/C9H12N2OS/c1-2-3-4-13-9-10-5-8(7-12)6-11-9/h5-7H,2-4H2,1H3 InChIKey: YCJOTWCAJTZPNS-UHFFFAOYSA-N
CBID:307705 http://www.chembase.cn/molecule-307705.html