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SMILES: c1(n[nH]c2cccc(c12)C#N)I Canonical SMILES: N#Cc1cccc2c1c(I)n[nH]2 InChI: InChI=1S/C8H4IN3/c9-8-7-5(4-10)2-1-3-6(7)11-12-8/h1-3H,(H,11,12) InChIKey: ASELKRKBVMZMSK-UHFFFAOYSA-N
CBID:804706 http://www.chembase.cn/molecule-804706.html