Molecule Editor

Molecule ID: FYI-1013136 Edit

Molecule Structure InChIKey: PEKNLWJKNVZVGV-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc4cccc(n3ncc(SSSc2cnn(c1cccc(C)c1)c(=O)c2Cl)c(Cl)c3=O)c4

Download SDF Download SVG Structure in 2D SDF:

FYI-1013136
FYIcenter.com

 33 36  0  0  0  0  0  0  0  0999 V2000
   15.7617    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    5.6000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    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  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 22  2  0  0  0  0
 24 18  1  0  0  0  0
 25 17  1  0  0  0  0
 26 25  2  0  0  0  0
 27 25  1  0  0  0  0
 27 14  2  0  0  0  0
 28 27  1  0  0  0  0
 29 10  2  0  0  0  0
 30 29  1  0  0  0  0
 31 29  1  0  0  0  0
 31  7  1  0  0  0  0
 32 31  2  0  0  0  0
 33  6  2  0  0  0  0
 33  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013136-3D
FYIcenter.com

 49 52  0  0  0  0  0  0  0  0999 V2000
    1.7400  -13.4116   -1.2670 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5107  -13.2173   -0.4289 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0199  -14.2640    0.3542 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0922  -14.0652    1.1637 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7189  -12.8164    1.1985 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2638  -11.7424    0.4176 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9244  -10.4629    0.4324 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6780   -9.6786   -0.6813 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3110   -8.5555   -0.7802 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2653   -8.0106    0.1942 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9511   -6.4516   -0.0666 S   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1299   -6.7256   -1.7207 S   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5381   -8.1609   -1.3134 S   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2940   -7.6675    0.1582 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6613   -6.2634    0.3881 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1684   -5.7734    1.4718 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3908   -6.6373    2.5272 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7976   -5.9858    3.7445 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6259   -6.5894    4.9989 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9895   -5.9331    6.1769 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5507   -4.6622    6.1256 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7447   -4.0333    4.8937 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3925   -2.6816    4.8222 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3541   -4.6941    3.7154 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2269   -8.0259    2.4223 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5266   -8.8498    3.2863 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6479   -8.5131    1.1340 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4078  -10.2346    1.0198 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.4321   -8.7325    1.3060 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4259   -8.2020    2.6323 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.7549  -10.0491    1.4847 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9400  -10.6611    2.5387 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1430  -11.9712   -0.4042 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0896  -14.4485   -1.2300 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5501  -12.7729   -0.8990 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5317  -13.1674   -2.3131 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4969  -15.2406    0.3423 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4812  -14.8777    1.7714 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5953  -12.7322    1.8331 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1149   -7.9376   -1.6737 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4934   -5.5636   -0.4458 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1684   -7.5692    5.1029 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8281   -6.4208    7.1353 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8327   -4.1684    7.0528 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5749   -2.2715    5.8216 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.3558   -2.7538    4.3084 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7468   -1.9783    4.2859 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5170   -4.1955    2.7621 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2565  -11.1605   -1.0109 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 34  1  0  0  0  0
  1 35  1  0  0  0  0
  1 36  1  0  0  0  0
  2  3  1  0  0  0  0
  2 33  2  0  0  0  0
  3  4  2  0  0  0  0
  3 37  1  0  0  0  0
  4  5  1  0  0  0  0
  4 38  1  0  0  0  0
  5  6  2  0  0  0  0
  5 39  1  0  0  0  0
  6  7  1  0  0  0  0
  6 33  1  0  0  0  0
  7  8  1  0  0  0  0
  7 31  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 40  1  0  0  0  0
 10 11  1  0  0  0  0
 10 29  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 27  2  0  0  0  0
 15 16  2  0  0  0  0
 15 41  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 25  1  0  0  0  0
 18 19  1  0  0  0  0
 18 24  2  0  0  0  0
 19 20  2  0  0  0  0
 19 42  1  0  0  0  0
 20 21  1  0  0  0  0
 20 43  1  0  0  0  0
 21 22  2  0  0  0  0
 21 44  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 45  1  0  0  0  0
 23 46  1  0  0  0  0
 23 47  1  0  0  0  0
 24 48  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
 31 32  2  0  0  0  0
 33 49  1  0  0  0  0
M  END
$$$$