basic_info |
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| Product_Name: | 2-(2,3-DIHYDRO-1H-8-THIA-5,7-DIAZA-CYCLOPENTA[A]INDEN-4-YLSULFANYL)-BENZOIC ACID |
| CAS: | 554407-97-5 |
| EnglishSynonyms: | 2-(2,3-DIHYDRO-1H-8-THIA-5,7-DIAZA-CYCLOPENTA[A]INDEN-4-YLSULFANYL)-BENZOIC ACID |
| pro_mdlNumber: | MFCD03973224 |
| pro_acceptors: | 4 |
| pro_donors: | 1 |
| pro_smile: | c1ccc(c(c1)C(=O)O)Sc2c3c4c(sc3ncn2)CCC4 |
| InChi: | InChI=1S/C16H12N2O2S2/c19-16(20)10-4-1-2-6-12(10)22-15-13-9-5-3-7-11(9)21-14(13)17-8-18-15/h1-2,4,6,8H,3,5,7H2,(H,19,20) |
| InChiKey: | InChIKey=QFTBUYQYYPLHDV-UHFFFAOYSA-N |
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