Molecule FYI-1001720

Home > Molecule

A

Molecule Summary:

ID: FYI-1001720
SMILES: CCCCC1(Cc2cc(OCCCC3=NOC(=S)N3)c(Cl)c(Cl)c2C1=O)C4CCCC4

Received at FYIcenter.com on: 2022-11-17

Molecule ID: FYI-1001720 Edit

Molecule Structure SMILES String: CCCCC1(Cc2cc(OCCCC3=NOC(=S)N3)c(Cl)c(Cl)c2C1=O)C4CCCC4

Download SDF Download SVG Structure in 2D SDF:

FYI-1001720
FYIcenter.com

 31 34  0  0  0  0  0  0  0  0999 V2000
   11.2061   12.1628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9080   10.9469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2061    9.7310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9080    8.5151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2061    7.2991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8097    7.1523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5178    5.7790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3018    5.0770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3018    3.6730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0859    2.9709    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8700    3.6730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6541    2.9709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4381    3.6730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2222    2.9709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9395    3.5420    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4986    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7021    1.2827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1309    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0755    1.5746    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5178    2.9709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5178    1.5669    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.7337    3.6730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9497    2.9709    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.7337    5.0770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7771    6.0165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0629    5.5970    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6081    7.2257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4167    6.1118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7290    6.4115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8025    7.8136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4917    8.3168    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  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  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  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19 17  1  0  0  0  0
 19 14  1  0  0  0  0
 20  9  2  0  0  0  0
 21 20  1  0  0  0  0
 22 20  1  0  0  0  0
 23 22  1  0  0  0  0
 24 22  2  0  0  0  0
 24  7  1  0  0  0  0
 25 24  1  0  0  0  0
 25  5  1  0  0  0  0
 26 25  2  0  0  0  0
 27  5  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  1  0  0  0  0
 31 30  1  0  0  0  0
 31 27  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001720-3D
FYIcenter.com

 59 62  0  0  1  0  0  0  0  0999 V2000
    4.5583    2.3930    1.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1420    1.0882    0.3423 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8493   -0.1072    0.9786 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3912   -1.4279    0.3234 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0667   -2.7205    0.9011 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5872   -4.0027    0.1551 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4567   -4.0736   -1.0574 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2678   -4.8880   -2.1601 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1547   -4.8033   -3.2405 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7994   -5.6752   -4.2434 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8296   -6.1797   -5.0845 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4874   -7.5838   -5.5892 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6155   -8.0665   -6.5001 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3990   -9.4373   -7.0444 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1752  -10.4460   -6.8184 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6106  -11.5305   -7.5557 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5058  -11.0088   -8.1641 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5390  -11.9193   -9.1336 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.3756   -9.7208   -7.8467 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2019   -3.8424   -3.2004 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1716   -3.5033   -4.6057 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.4236   -3.0716   -2.0279 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6334   -1.8359   -1.9583 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.5724   -3.2503   -0.9512 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5116   -2.6289    0.3831 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4456   -2.0809    0.9370 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8923   -2.8228    2.4439 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0899   -4.2078    3.0863 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4420   -4.1190    4.4651 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4957   -2.9270    4.4110 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4828   -2.4748    2.9574 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0369    3.2346    0.5351 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6354    2.5582    0.8956 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3141    2.3890    2.0675 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3764    1.1306   -0.7277 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0562    0.9683    0.4358 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6433   -0.1041    2.0521 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9326    0.0216    0.8752 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5992   -1.3404   -0.7524 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3017   -1.5152    0.4041 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5224   -3.9714   -0.0857 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8086   -4.9289    0.6874 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4386   -5.5923   -2.1867 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7843   -6.2389   -4.5489 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9113   -5.5192   -5.9539 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5259   -7.5774   -6.1187 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3522   -8.2699   -4.7437 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5646   -8.0635   -5.9500 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7252   -7.3817   -7.3504 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6503   -9.1035   -8.1826 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6080   -2.1390    2.9210 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1428   -4.4979    3.1339 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5469   -4.9990    2.5634 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1966   -3.9816    5.2444 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8958   -5.0419    4.6914 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8842   -2.1242    5.0484 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4903   -3.1724    4.7683 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2445   -1.4098    2.9066 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7105   -3.0125    2.3948 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 32  1  0  0  0  0
  1 33  1  0  0  0  0
  1 34  1  0  0  0  0
  2  3  1  0  0  0  0
  2 35  1  0  0  0  0
  2 36  1  0  0  0  0
  3  4  1  0  0  0  0
  3 37  1  0  0  0  0
  3 38  1  0  0  0  0
  4  5  1  0  0  0  0
  4 39  1  0  0  0  0
  4 40  1  0  0  0  0
  5  6  1  0  0  0  0
  5 25  1  0  0  0  0
  5 27  1  0  0  0  0
  6  7  1  0  0  0  0
  6 41  1  0  0  0  0
  6 42  1  0  0  0  0
  7  8  1  0  0  0  0
  7 24  2  0  0  0  0
  8  9  2  0  0  0  0
  8 43  1  0  0  0  0
  9 10  1  0  0  0  0
  9 20  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 44  1  0  0  0  0
 11 45  1  0  0  0  0
 12 13  1  0  0  0  0
 12 46  1  0  0  0  0
 12 47  1  0  0  0  0
 13 14  1  0  0  0  0
 13 48  1  0  0  0  0
 13 49  1  0  0  0  0
 14 15  2  0  0  0  0
 14 19  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 50  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 27 28  1  0  0  0  0
 27 31  1  0  0  0  0
 27 51  1  0  0  0  0
 28 29  1  0  0  0  0
 28 52  1  0  0  0  0
 28 53  1  0  0  0  0
 29 30  1  0  0  0  0
 29 54  1  0  0  0  0
 29 55  1  0  0  0  0
 30 31  1  0  0  0  0
 30 56  1  0  0  0  0
 30 57  1  0  0  0  0
 31 58  1  0  0  0  0
 31 59  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-12-02, 2026👍, 0💬