Molecule Editor

Molecule ID: FYI-1001131 Edit

Molecule Structure SMILES String: CC1=CC=C(C=C1)[S](=O)(=O)N[C@H](CC2=NN=C3[N]2N=C(CS3)C4=CC=C(C=C4)[Br])C5=CC=CC=C5

Download SDF Download SVG Structure in 2D SDF:

FYI-1001131
FYIcenter.com

 35 39  0  0  1  0  0  0  0  0999 V2000
    4.1032    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3156    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3156    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5280    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7405    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7405    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5280    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9529    6.3000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.3529    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6529    7.5124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.8020    7.7234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    9.3460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368   10.3864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3062   10.0954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7388    8.7639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5041   11.7179    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    7.7405    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5280    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5280    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7405    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9529    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9529    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  7  2  1  0  0  0  0
  8  5  1  0  0  0  0
  9  8  2  0  0  0  0
 10  8  2  0  0  0  0
 11  8  1  0  0  0  0
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 20 19  2  0  0  0  0
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 22 17  1  0  0  0  0
 23 20  1  0  0  0  0
 24 23  2  0  0  0  0
 25 24  1  0  0  0  0
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 27 26  1  0  0  0  0
 28 27  2  0  0  0  0
 28 23  1  0  0  0  0
 29 26  1  0  0  0  0
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 33 32  2  0  0  0  0
 34 33  1  0  0  0  0
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 35 30  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001131-3D
FYIcenter.com

 57 61  0  0  1  0  0  0  0  0999 V2000
   -1.4639   -1.7299   -6.0128 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0665   -1.3556   -4.6903 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6575   -0.1743   -4.0601 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1379    0.1578   -2.7954 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.6401   -0.2511   -0.5400 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6043   -1.2479   -0.1222 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4747    0.0591    0.2474 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4546    1.1776   -0.7960 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8638    1.2659   -1.3006 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.8903    0.5906   -2.7209 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1418    0.5310   -3.5222 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3195    0.9775   -3.1299 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1267    1.0611   -4.2291 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4497    0.5856   -5.2402 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2520    0.0419   -4.8408 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3878   -0.7880   -5.5798 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$