ZP-7结构式

ZP-7
中文名称:ZP-7
英文名称:ZP-7
CAS No.:1188890-60-9
分子式:C15H9Br2ClN4OS2 分子量:520.65
ZP-7 数据
Mol:
  0  0
    1.2478   -2.2905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1775    2.7038    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.2454    2.6935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9591    1.4560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9635   -0.2303    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.6771   -1.4659    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9635   -2.7038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9591    2.2831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6771   -2.2905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6809    2.6811    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0      
  1  3  1  0      
  2  4  1  0      
  3  5  2  0
  3  6  1  0
  4  7  1  0      
  4  8  2  0      
  5  9  1  0
  5 10  1  0      
  6 11  1  0
  7 12  1  0      
  9 11  2  0
 10 13  2  0
 10 14  1  0
 12 15  2  0
 12 16  1  0
 13 17  1  0      
 13 18  1  0
 14 19  2  0
 15 20  1  0      
 15 21  1  0
 16 22  2  0
 18 23  2  0
 19 23  1  0
 21 24  2  0
 22 24  1  0
 23 25  1  0      
M  END
                                
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ZP-7 Smile 编码:
S(C1SN=NC=1C1C=CC(Br)=CC=1Br)CC(=O)NC1C=CC=NC=1Cl
ZP-7 InChi 编码:
1S/C15H9Br2ClN4OS2/c16-8-3-4-9(10(17)6-8)13-15(25-22-21-13)24-7-12(23)20-11-2-1-5-19-14(11)18/h1-6H,7H2,(H,20,23)
ZP-7 InChiKey 编码:
PEORKJDYDRSGSQ-UHFFFAOYSA-N