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SMILES: c1(n(ccn1)C)SCC(=O)O Canonical SMILES: OC(=O)CSc1nccn1C InChI: InChI=1S/C6H8N2O2S/c1-8-3-2-7-6(8)11-4-5(9)10/h2-3H,4H2,1H3,(H,9,10) InChIKey: AGPAPZHHJYBAGE-UHFFFAOYSA-N
CBID:51256 http://www.chembase.cn/molecule-51256.html