苯甲腈,2-氯-6-巯基-

pro_cas
141034-42-6
pro_cdbregno
CCD00179782
pro_formula
C22 H27 N5 O . 2 Cl H
pro_molWeight
450.411

basic_info

Product_Name: 苯甲腈,2-氯-6-巯基-
CAS: 141034-42-6
中文同义词: 苯甲腈,2-氯-6-巯基-
EnglishSynonyms: DAT 582
pro_mdlNumber: MFCD00910884
pro_acceptors: 6
pro_donors: 2
pro_smile: Cc1cccc(c1)CN2CCN(C[C@H](C2)NC(=O)c3c4ccccc4[nH]n3)C.Cl.Cl
InChi: InChI=1S/C22H27N5O.2ClH/c1-16-6-5-7-17(12-16)13-27-11-10-26(2)14-18(15-27)23-22(28)21-19-8-3-4-9-20(19)24-25-21;;/h3-9,12,18H,10-11,13-15H2,1-2H3,(H,23,28)(H,24,25);2*1H/t18-;;/m1../s1
InChiKey: InChIKey=BDHAPQXDDJQQBI-JPKZNVRTSA-N

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