Molecule FYI-1002871

A

Molecule Summary:

ID: FYI-1002871
Names:
InChIKey: SSUOSVQNPYIPHR-UHFFFAOYSA-N
SMILES: CCCCNC(=O)c2cc(S(N)(=O)=O)c(SCc1ccccc1)cc2SCc3ccccc3

Received at FYIcenter.com on: 2023-04-25

Molecule ID: FYI-1002871 Edit

Molecule Structure InChIKey: SSUOSVQNPYIPHR-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCNC(=O)c2cc(S(N)(=O)=O)c(SCc1ccccc1)cc2SCc3ccccc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1002871
FYIcenter.com

 33 35  0  0  0  0  0  0  0  0999 V2000
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.7000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
  4 15  1  0  0  0  0
  3 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 16 19  2  0  0  0  0
  1 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 15 25  1  0  0  0  0
 25 26  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 26 31  1  0  0  0  0
 26 27  2  0  0  0  0
 24 32  1  0  0  0  0
 32 33  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002871-3D
FYIcenter.com

 61 63  0  0  0  0  0  0  0  0999 V2000
    2.6978    3.0408   -1.3167 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1806    2.8751   -1.0286 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4836    1.5293   -0.3700 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9794    1.3415   -0.1144 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5178    2.3194    0.8149 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4332    2.1257    2.1693 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8685    1.1474    2.6513 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0145    3.1432    3.1033 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3945    3.1493    4.3711 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9003    3.8835    5.4573 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0102    3.6768    6.9796 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.4326    4.1129    6.5810 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0200    2.2635    7.2898 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4055    4.6800    7.9459 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0640    4.6350    5.2941 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9910    5.5150    6.5635 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.6003    4.0986    7.5336 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5158    4.4338    8.6888 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0741    4.2422   10.0089 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9678    4.3197   11.0803 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3089    4.6135   10.8494 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7473    4.8710    9.5518 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8559    4.7903    8.4770 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6208    4.7076    3.9924 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1323    3.9688    2.8857 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9222    4.1453    1.2719 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.6796    4.4312    1.6846 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5524    4.5791    0.4615 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8021    5.8498   -0.0809 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.2814    4.8891   -1.7297 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0239    3.6173   -1.2158 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1594    3.4635   -0.1287 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5127    4.0133   -1.7837 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9265    1.4461    0.5713 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1501    0.3380    0.2924 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9828    3.1440    0.4505 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5156    2.5170    4.5247 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1896    4.9595    7.0993 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  2  3  1  0  0  0  0
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  4  5  1  0  0  0  0
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  4 42  1  0  0  0  0
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  6  7  2  0  0  0  0
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  8 25  2  0  0  0  0
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 15 24  2  0  0  0  0
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 33 61  1  0  0  0  0
M  END
$$$$

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2023-05-09, 1642👍, 0💬