Molecule Editor

Molecule ID: FYI-1015642 Edit

Molecule Structure InChIKey: QYQXXJRBEVUIRV-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc1ccc(N(O)O)cc1NC(=S)NC(=O)c2ccccc2COc3ccc(Cl)cc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1015642
FYIcenter.com

 31 33  0  0  0  0  0  0  0  0999 V2000
    9.6996    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996   10.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120   11.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870   11.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    8.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    2.8000    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  1  0  0  0  0
  8  6  1  0  0  0  0
  9  5  1  0  0  0  0
 10  9  2  0  0  0  0
 10  2  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 12  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 15  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 22 17  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  2  0  0  0  0
 27 26  1  0  0  0  0
 28 27  2  0  0  0  0
 29 28  1  0  0  0  0
 30 28  1  0  0  0  0
 31 30  2  0  0  0  0
 31 25  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015642-3D
FYIcenter.com

 51 53  0  0  0  0  0  0  0  0999 V2000
    3.2371   -8.2549   -2.0387 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2955   -7.3148   -2.7416 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7084   -7.7660   -3.9375 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8121   -6.9675   -4.6474 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4598   -5.7018   -4.1755 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4345   -4.8738   -4.9098 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7178   -3.5934   -4.4509 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4968   -5.0195   -6.2904 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0147   -5.2733   -2.9590 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9175   -6.0602   -2.2249 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5292   -5.5559   -1.0482 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0908   -4.5925   -0.1683 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5140   -4.1220    0.1506 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.0785   -3.9481    0.5558 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4544   -4.1448    0.5302 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9820   -5.1439    0.0563 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2562   -3.0827    1.2142 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9104   -1.7370    0.9797 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6110   -0.7025    1.6018 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6734   -0.9984    2.4495 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0414   -2.3270    2.6684 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3394   -3.3897    2.0634 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8042   -4.8001    2.3534 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8521   -5.1330    1.4457 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4556   -6.3512    1.6036 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1382   -7.3091    2.5711 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8509   -8.5124    2.6249 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8758   -8.7625    1.7145 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7468  -10.2444    1.7917 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.1963   -7.8174    0.7457 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4846   -6.6157    0.6926 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2245   -0.1942    2.9333 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.9732   -5.5105    2.2885 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1824   -4.8284    3.3842 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3472   -7.1546    3.2944 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5942   -9.2552    3.3791 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9908   -8.0065    0.0290 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7330   -5.8779   -0.0665 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  1 34  1  0  0  0  0
  2  3  1  0  0  0  0
  2 10  2  0  0  0  0
  3  4  2  0  0  0  0
  3 35  1  0  0  0  0
  4  5  1  0  0  0  0
  4 36  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7 37  1  0  0  0  0
  8 38  1  0  0  0  0
  9 10  1  0  0  0  0
  9 39  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 40  1  0  0  0  0
 12 13  2  0  0  0  0
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 21 22  1  0  0  0  0
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 23 24  1  0  0  0  0
 23 46  1  0  0  0  0
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 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 31  2  0  0  0  0
 26 27  2  0  0  0  0
 26 48  1  0  0  0  0
 27 28  1  0  0  0  0
 27 49  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  2  0  0  0  0
 30 31  1  0  0  0  0
 30 50  1  0  0  0  0
 31 51  1  0  0  0  0
M  END
$$$$