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SMILES: n1(c(nnc1S)c1ccccc1)CCCC Canonical SMILES: CCCCn1c(S)nnc1c1ccccc1 InChI: InChI=1S/C12H15N3S/c1-2-3-9-15-11(13-14-12(15)16)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3,(H,14,16) InChIKey: YBXVDDJJTWCFLM-UHFFFAOYSA-N
CBID:77253 http://www.chembase.cn/molecule-77253.html