Molecule FYI-1000979

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Molecule Summary:

ID: FYI-1000979
SMILES: S=C1S/C(=C/c2ccc(C)cc2)C(=O)N1CCN(CC)CC

Received at FYIcenter.com on: 2021-08-20

Molecule ID: FYI-1000979 Edit

Molecule Structure SMILES String: S=C1S/C(=C/c2ccc(C)cc2)C(=O)N1CCN(CC)CC

Download SDF Download SVG Structure in 2D SDF:

FYI-1000979
FYIcenter.com

 22 23  0  0  0  0  0  0  0  0999 V2000
    7.6322    0.8611    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.3412    2.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    3.2710    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.5779    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1473    5.7624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3245    6.8950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8939    8.1739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0710    9.3066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6787    9.1602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8558   10.2928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1092    7.8813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9321    6.7487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2086    4.1923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1681    5.1292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    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
  2  1  2  0  0  0  0
  3  2  1  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
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11  9  1  0  0  0  0
 12 11  2  0  0  0  0
 12  6  1  0  0  0  0
 13  4  1  0  0  0  0
 14 13  2  0  0  0  0
 15 13  1  0  0  0  0
 15  2  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 18  1  0  0  0  0
 22 21  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1000979-3D
FYIcenter.com

 44 45  0  0  0  0  0  0  0  0999 V2000
    2.5966    0.3334    0.2070 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.9384    0.1911    0.0629 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0985    1.6132   -0.0092 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5434    0.6781    0.0341 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7688    1.2225    0.0399 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0025    0.4377    0.0764 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5812    0.0964    1.3021 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6957   -0.7439    1.3409 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2446   -1.2498    0.1569 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4091   -2.1938    0.1888 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6761   -0.8842   -1.0692 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5613   -0.0452   -1.1106 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2027   -0.7716    0.0860 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0155   -1.6743    0.2348 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1710   -0.9527    0.0253 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6712   -2.3272    0.1007 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2902   -3.2134   -1.1137 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8328   -2.8295   -2.4400 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3004   -2.7311   -2.4679 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0792   -4.0284   -2.2655 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2873   -3.7529   -3.4586 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6971   -3.4525   -4.8965 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9073    2.2995    0.0164 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1485    0.4488    2.2349 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1148   -1.0216    2.3049 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7233   -2.4095    1.2154 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1363   -3.1431   -0.2826 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2625   -1.7591   -0.3421 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0824   -1.2742   -1.9996 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1135    0.1970   -2.0711 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2154   -2.7789    0.9915 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7498   -2.3537    0.2715 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8031   -3.2295   -1.1957 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5792   -4.2446   -0.8754 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6294   -2.0136   -1.7151 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6174   -2.2718   -3.4120 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6904   -4.6219   -1.4338 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1243   -3.7966   -2.0365 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0625   -4.6440   -3.1680 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8084   -3.6977   -3.4263 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5551   -4.7912   -3.2252 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4397   -2.4263   -5.1776 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1726   -4.1300   -5.5784 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7693   -3.6014   -5.0581 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 15  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 13  1  0  0  0  0
  5  6  1  0  0  0  0
  5 23  1  0  0  0  0
  6  7  1  0  0  0  0
  6 12  2  0  0  0  0
  7  8  2  0  0  0  0
  7 24  1  0  0  0  0
  8  9  1  0  0  0  0
  8 25  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
 10 26  1  0  0  0  0
 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
 11 12  1  0  0  0  0
 11 29  1  0  0  0  0
 12 30  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 31  1  0  0  0  0
 16 32  1  0  0  0  0
 17 18  1  0  0  0  0
 17 33  1  0  0  0  0
 17 34  1  0  0  0  0
 18 19  1  0  0  0  0
 18 21  1  0  0  0  0
 19 20  1  0  0  0  0
 19 35  1  0  0  0  0
 19 36  1  0  0  0  0
 20 37  1  0  0  0  0
 20 38  1  0  0  0  0
 20 39  1  0  0  0  0
 21 22  1  0  0  0  0
 21 40  1  0  0  0  0
 21 41  1  0  0  0  0
 22 42  1  0  0  0  0
 22 43  1  0  0  0  0
 22 44  1  0  0  0  0
M  END
$$$$

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2022-04-02, 1374👍, 0💬