basic_info |
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Product_Name: | 5-[2-(DIMETHYLAMINO)VINYL]-3-[(4-METHYLBENZYL)SULFANYL]-4-ISOTHIAZOLECARBONITRILE |
CAS: | 338778-59-9 |
EnglishSynonyms: | 5-[2-(DIMETHYLAMINO)VINYL]-3-[(4-METHYLBENZYL)SULFANYL]-4-ISOTHIAZOLECARBONITRILE |
pro_mdlNumber: | MFCD00138533 |
pro_acceptors: | 3 |
pro_donors: | 0 |
pro_smile: | Cc1ccc(cc1)CSc2c(c(sn2)/C=C/N(C)C)C#N |
InChi: | InChI=1S/C16H17N3S2/c1-12-4-6-13(7-5-12)11-20-16-14(10-17)15(21-18-16)8-9-19(2)3/h4-9H,11H2,1-3H3/b9-8+ |
InChiKey: | InChIKey=YQTWLZPVQVBFFK-CMDGGOBGSA-N |
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