basic_info |
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| Product_Name: | 5-((3-CL-2-METHYLANILINO)METHYL)-4-PHENYL-2,4-DIHYDRO-3H-1,2,4-TRIAZOLE-3-THIONE |
| CAS: | 539811-30-8 |
| EnglishSynonyms: | 5-((3-CL-2-METHYLANILINO)METHYL)-4-PHENYL-2,4-DIHYDRO-3H-1,2,4-TRIAZOLE-3-THIONE |
| pro_mdlNumber: | MFCD05154911 |
| pro_acceptors: | 4 |
| pro_donors: | 2 |
| pro_smile: | Cc1c(cccc1Cl)NCc2n[nH]c(=S)n2c3ccccc3 |
| InChi: | InChI=1S/C16H15ClN4S/c1-11-13(17)8-5-9-14(11)18-10-15-19-20-16(22)21(15)12-6-3-2-4-7-12/h2-9,18H,10H2,1H3,(H,20,22) |
| InChiKey: | InChIKey=NTAMWTGWQVIDPR-UHFFFAOYSA-N |
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