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SMILES: n1(c(nnc1S)C(Oc1ccccc1)C)CC Canonical SMILES: CCn1c(S)nnc1C(Oc1ccccc1)C InChI: InChI=1S/C12H15N3OS/c1-3-15-11(13-14-12(15)17)9(2)16-10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H,14,17) InChIKey: IQQLIRYLDUFNFD-UHFFFAOYSA-N
CBID:28005 http://www.chembase.cn/molecule-28005.html