basic_info |
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| Product_Name: | 乙酰腈,[(5-氨基-3-甲基-4-异[口噁]唑基)硫代]- (9CI) |
| CAS: | 71795-25-0 |
| 中文同义词: | 乙酰腈,[(5-氨基-3-甲基-4-异[口噁]唑基)硫代]- (9CI) |
| EnglishSynonyms: | ACETAMIDE, N-(4-((((((2-CHLOROPHENYL)METHYL)AMINO)(2-PROPYNYLAMINO)MET HYLENE)AMINO)SULFONYL)PHENYL)- |
| pro_mdlNumber: | MFCD01751124 |
| pro_acceptors: | 7 |
| pro_donors: | 3 |
| pro_smile: | CC(=O)Nc1ccc(cc1)S(=O)(=O)/N=C(/NCC#C)\NCc2ccccc2Cl |
| InChi: | InChI=1S/C19H19ClN4O3S/c1-3-12-21-19(22-13-15-6-4-5-7-18(15)20)24-28(26,27)17-10-8-16(9-11-17)23-14(2)25/h1,4-11H,12-13H2,2H3,(H,23,25)(H2,21,22,24) |
| InChiKey: | InChIKey=MDUPDBIASLFMKT-UHFFFAOYSA-N |
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