Alpk1-IN-3结构式

Alpk1-IN-3
英文名称:Alpk1-IN-3
CAS No.:2765633-73-4
分子式:C20H16F2N4OS 分子量:398.429049491882
Alpk1-IN-3 数据
Mol:
000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2619   -0.5110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619   -1.3770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -0.5110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.0110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.0110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.4890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.5110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.0110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.0110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.4890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.4890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  1  0
  1 22  1  0
  2 17  1  0
  3 18  1  0
  4 19  2  0
  5  9  1  0
  5 10  1  0
  5 13  1  0
  6 11  1  0
  6 12  1  0
  7 19  1  0
  7 20  1  0
  8 20  2  0
  8 21  1  0
  9 11  1  0
 10 12  1  0
 13 14  2  0
 13 15  1  0
 14 18  1  0
 15 17  2  0
 16 17  1  0
 16 18  2  0
 16 19  1  0
 21 22  2  0
 21 23  1  0
 22 24  1  0
 23 25  2  0
 23 27  1  0
 24 26  2  0
 25 26  1  0
 27 28  3  0
M  END                                
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Alpk1-IN-3 Smile 编码:
S1C2C=CC=C(C#C)C=2N=C1NC(C1=C(C=C(C=C1F)N1CCNCC1)F)=O
Alpk1-IN-3 InChi 编码:
1S/C20H16F2N4OS/c1-2-12-4-3-5-16-18(12)24-20(28-16)25-19(27)17-14(21)10-13(11-15(17)22)26-8-6-23-7-9-26/h1,3-5,10-11,23H,6-9H2,(H,24,25,27)
Alpk1-IN-3 InChiKey 编码:
SYFBCXSTGKUMAJ-UHFFFAOYSA-N