basic_info |
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| Product_Name: | 2-MERCAPTO-3-PHENYL-3,5,6,7,8,9-HEXAHYDRO-10-THIA-1,3-DIAZA-BENZO[A]AZULEN-4-ONE |
| CAS: | 59898-71-4 |
| EnglishSynonyms: | 2-MERCAPTO-3-PHENYL-3,5,6,7,8,9-HEXAHYDRO-4H-CYCLOHEPTA[4,5]THIENO[2,3-D]PYRIMIDIN-4-ONE ; BUTTPARK 170\40-96 ; 2-MERCAPTO-3-PHENYL-3,5,6,7,8,9-HEXAHYDRO-10-THIA-1,3-DIAZA-BENZO[A]AZULEN-4-ONE |
| pro_mdlNumber: | MFCD02053070 |
| pro_acceptors: | 3 |
| pro_donors: | 0 |
| pro_smile: | c1ccc(cc1)n2c(=O)c3c4c(sc3nc2S)CCCCC4 |
| InChi: | InChI=1S/C17H16N2OS2/c20-16-14-12-9-5-2-6-10-13(12)22-15(14)18-17(21)19(16)11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10H2,(H,18,21) |
| InChiKey: | InChIKey=ZCPNPFBDYUPJBH-UHFFFAOYSA-N |
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