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SMILES: n1(c(nnc1S)c1occc1)C Canonical SMILES: Cn1c(S)nnc1c1ccco1 InChI: InChI=1S/C7H7N3OS/c1-10-6(8-9-7(10)12)5-3-2-4-11-5/h2-4H,1H3,(H,9,12) InChIKey: DGJGYKBNBLOGSA-UHFFFAOYSA-N
CBID:27777 http://www.chembase.cn/molecule-27777.html