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SMILES: n1(c(nnc1S)C(Oc1c(cc(cc1)Cl)C)C)CC Canonical SMILES: CCn1c(S)nnc1C(Oc1ccc(cc1C)Cl)C InChI: InChI=1S/C13H16ClN3OS/c1-4-17-12(15-16-13(17)19)9(3)18-11-6-5-10(14)7-8(11)2/h5-7,9H,4H2,1-3H3,(H,16,19) InChIKey: NIPWGMLIALRKCJ-UHFFFAOYSA-N
CBID:27875 http://www.chembase.cn/molecule-27875.html