Molecule FYI-1001221

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A

Molecule Summary:

ID: FYI-1001221
SMILES: FC(C=C2)=CC=C2C1=C(C#N)C(NCC)=NC(SCC)=N1

Received at FYIcenter.com on: 2022-03-21

Molecule ID: FYI-1001221 Edit

Molecule Structure SMILES String: FC(C=C2)=CC=C2C1=C(C#N)C(NCC)=NC(SCC)=N1

Download SDF Download SVG Structure in 2D SDF:

FYI-1001221
FYIcenter.com

 21 22  0  0  0  0  0  0  0  0999 V2000
    4.8498   10.5000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 C   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
    6.0622    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.0000    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
    4.8498    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
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6000    0.0000 N   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
    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
    4.8498    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 N   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  2  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  7  4  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  3  0  0  0  0
 12  9  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 12  2  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 17  2  0  0  0  0
 21  8  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001221-3D
FYIcenter.com

 36 37  0  0  0  0  0  0  0  0999 V2000
    2.1467   -0.5819    0.6720 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.8279   -0.4243    0.5047 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2815   -0.5283   -0.7633 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0999   -0.3868   -0.9336 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0184   -0.1733    1.6034 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3605   -0.0051    1.4257 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9562   -0.0967    0.1493 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4287    0.0492   -0.0111 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0547    0.6298   -1.1098 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3399    1.2902   -2.1584 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7709    1.8252   -3.0148 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4412    0.5409   -1.1672 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1176    0.9930   -2.3126 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5271    0.6493   -2.4486 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1219    1.4352   -3.6092 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1479   -0.0317   -0.1758 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4800   -0.4984    0.8894 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4666   -1.2595    2.1568 S   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3982   -1.0509    3.6167 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0926   -1.6248    4.8447 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1465   -0.4833    1.0120 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9249   -0.7304   -1.6148 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4859   -0.5290   -1.9409 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4622   -0.1167    2.5923 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9771    0.1817    2.3041 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9080    1.9641   -2.5309 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0971    0.8753   -1.5411 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6168   -0.4227   -2.6608 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1590    2.5039   -3.3706 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1413    1.0981   -3.8194 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5246    1.3188   -4.5200 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1966    0.0133    3.7755 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4467   -1.5696    3.4650 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0447   -1.1209    5.0452 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4601   -1.4945    5.7297 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2850   -2.6979    4.7347 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  5  2  0  0  0  0
  3  4  2  0  0  0  0
  3 22  1  0  0  0  0
  4  7  1  0  0  0  0
  4 23  1  0  0  0  0
  5  6  1  0  0  0  0
  5 24  1  0  0  0  0
  6  7  2  0  0  0  0
  6 25  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 21  1  0  0  0  0
  9 10  1  0  0  0  0
  9 12  1  0  0  0  0
 10 11  3  0  0  0  0
 12 13  1  0  0  0  0
 12 16  2  0  0  0  0
 13 14  1  0  0  0  0
 13 26  1  0  0  0  0
 14 15  1  0  0  0  0
 14 27  1  0  0  0  0
 14 28  1  0  0  0  0
 15 29  1  0  0  0  0
 15 30  1  0  0  0  0
 15 31  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 21  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 32  1  0  0  0  0
 19 33  1  0  0  0  0
 20 34  1  0  0  0  0
 20 35  1  0  0  0  0
 20 36  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-05-15, 1574👍, 0💬