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SMILES: c1(c(cn(n1)CCC#N)C=O)c1sccc1 Canonical SMILES: N#CCCn1cc(c(n1)c1cccs1)C=O InChI: InChI=1S/C11H9N3OS/c12-4-2-5-14-7-9(8-15)11(13-14)10-3-1-6-16-10/h1,3,6-8H,2,5H2 InChIKey: KSXNJXHRROPMSA-UHFFFAOYSA-N
CBID:237455 http://www.chembase.cn/molecule-237455.html