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SMILES: n1(c(nnc1S)c1c(C)cccc1)CC=C Canonical SMILES: C=CCn1c(S)nnc1c1ccccc1C InChI: InChI=1S/C12H13N3S/c1-3-8-15-11(13-14-12(15)16)10-7-5-4-6-9(10)2/h3-7H,1,8H2,2H3,(H,14,16) InChIKey: BOKMEJQLNQDLIT-UHFFFAOYSA-N
CBID:27830 http://www.chembase.cn/molecule-27830.html