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SMILES: n1(c(nnc1S)c1cc(Cl)ccc1)CC(C)C Canonical SMILES: CC(Cn1c(S)nnc1c1cccc(c1)Cl)C InChI: InChI=1S/C12H14ClN3S/c1-8(2)7-16-11(14-15-12(16)17)9-4-3-5-10(13)6-9/h3-6,8H,7H2,1-2H3,(H,15,17) InChIKey: NPNVFRBBSDZLNK-UHFFFAOYSA-N
CBID:44246 http://www.chembase.cn/molecule-44246.html