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SMILES: CO/N=C(\C(=N[C@H]1[C@H]2SCC(=C(N2C1=O)C(=O)[O-])C[n+]1cccc2c1CCC2)O)/c1csc(=N)[nH]1 Canonical SMILES: CO/N=C(/c1csc(=N)[nH]1)\C(=N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)[O-])C[n+]1cccc2c1CCC2)O InChI: InChI=1S/C22H22N6O5S2/c1-33-26-15(13-10-35-22(23)24-13)18(29)25-16-19(30)28-17(21(31)32)12(9-34-20(16)28)8-27-7-3-5-11-4-2-6-14(11)27/h3,5,7,10,16,20H,2,4,6,8-9H2,1H3,(H3-,23,24,25,29,31,32)/b26-15-/t16-,20-/m1/s1 InChIKey: DKOQGJHPHLTOJR-WHRDSVKCSA-N
CBID:796666 http://www.chembase.cn/molecule-796666.html