Molecule FYI-1001157

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Molecule Summary:

ID: FYI-1001157
SMILES: COc1cc(cc(c1OC)OC)c1n[nH]c(=S)n1c1ccccc1

Received at FYIcenter.com on: 2022-02-11

Molecule ID: FYI-1001157 Edit

Molecule Structure SMILES String: COc1cc(cc(c1OC)OC)c1n[nH]c(=S)n1c1ccccc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1001157
FYIcenter.com

 24 26  0  0  0  0  0  0  0  0999 V2000
    9.6703    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4578    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2454    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0330    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8205    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8205    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0330    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2454    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4578    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6703    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0330    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2454    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6081    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4618    6.2923    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0923    6.5833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3923    5.3709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.2246    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3292    4.3306    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0381    2.9611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7066    2.5285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4155    1.1592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4559    0.2223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7874    0.6549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0784    2.0244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  8  3  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11  7  1  0  0  0  0
 12 11  1  0  0  0  0
 13  5  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 16  1  0  0  0  0
 18 13  1  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
 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
 24 19  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001157-3D
FYIcenter.com

 41 43  0  0  0  0  0  0  0  0999 V2000
    1.0302   -0.3444   -0.0232 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3753    0.0920    0.1150 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1152   -0.3999    1.1584 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7630   -1.5688    1.8520 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6034   -2.0922    2.8452 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8319   -1.4868    3.1066 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1804   -0.3030    2.4509 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3124    0.2593    1.4905 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7832    1.4111    0.8967 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8235    2.3520    0.4344 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3313    0.3946    2.7300 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4096   -0.3589    3.2705 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2022   -3.3464    3.5204 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6675   -4.3115    2.8195 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5202   -5.3311    3.6946 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9567   -4.9682    4.9632 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8072   -6.0314    6.2331 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.3983   -3.6509    4.8569 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8510   -2.8031    5.9120 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5995   -3.3032    6.9889 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981   -2.4595    7.9904 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8803   -1.0890    7.9230 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1294   -0.5691    6.8766 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5961   -1.4220    5.9019 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5951    0.1888   -0.8749 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4468   -0.0884    0.8669 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9712   -1.4136   -0.2465 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8550   -2.1135    1.6159 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4969   -1.9337    3.8369 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3159    3.3281    0.3796 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9720    2.4523    1.1161 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4998    2.1015   -0.5798 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3088    0.2618    3.2195 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5906   -1.2683    2.6871 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2331   -0.5969    4.3239 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1116   -6.2195    3.4336 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8620   -4.3535    7.0623 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6713   -2.8788    8.8140 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2898   -0.4306    8.6849 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9532    0.5022    6.8137 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9698   -0.9687    5.1386 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  8  2  0  0  0  0
  4  5  2  0  0  0  0
  4 28  1  0  0  0  0
  5  6  1  0  0  0  0
  5 13  1  0  0  0  0
  6  7  2  0  0  0  0
  6 29  1  0  0  0  0
  7  8  1  0  0  0  0
  7 11  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 30  1  0  0  0  0
 10 31  1  0  0  0  0
 10 32  1  0  0  0  0
 11 12  1  0  0  0  0
 12 33  1  0  0  0  0
 12 34  1  0  0  0  0
 12 35  1  0  0  0  0
 13 14  2  0  0  0  0
 13 18  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 36  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 24  2  0  0  0  0
 20 21  2  0  0  0  0
 20 37  1  0  0  0  0
 21 22  1  0  0  0  0
 21 38  1  0  0  0  0
 22 23  2  0  0  0  0
 22 39  1  0  0  0  0
 23 24  1  0  0  0  0
 23 40  1  0  0  0  0
 24 41  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-05-05, 175👍, 0💬