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SMILES: c1(c([nH]c(=S)[nH]c1=O)O)C1c2[nH]c3c(c2CCN1)cc(cc3)Cl Canonical SMILES: Clc1ccc2c(c1)c1CCNC(c1[nH]2)c1c(O)[nH]c(=S)[nH]c1=O InChI: InChI=1S/C15H13ClN4O2S/c16-6-1-2-9-8(5-6)7-3-4-17-12(11(7)18-9)10-13(21)19-15(23)20-14(10)22/h1-2,5,12,17-18H,3-4H2,(H3,19,20,21,22,23) InChIKey: JUVBSRQOLFUIMA-UHFFFAOYSA-N
CBID:218786 http://www.chembase.cn/molecule-218786.html