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SMILES: c1(cc(cs1)Br)CN1CCNCC1 Canonical SMILES: Brc1csc(c1)CN1CCNCC1 InChI: InChI=1S/C9H13BrN2S/c10-8-5-9(13-7-8)6-12-3-1-11-2-4-12/h5,7,11H,1-4,6H2 InChIKey: KCJXRDRIUQICIC-UHFFFAOYSA-N
CBID:310493 http://www.chembase.cn/molecule-310493.html