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SMILES: c1(nc(ccn1)c1c(n[nH]c1)I)SC Canonical SMILES: CSc1nccc(n1)c1c[nH]nc1I InChI: InChI=1S/C8H7IN4S/c1-14-8-10-3-2-6(12-8)5-4-11-13-7(5)9/h2-4H,1H3,(H,11,13) InChIKey: XBRURAHDFBJPMJ-UHFFFAOYSA-N
CBID:68346 http://www.chembase.cn/molecule-68346.html