Molecule FYI-1003655

A

Molecule Summary:

ID: FYI-1003655
Names:
InChIKey: LRAAZMNBUIISTO-UHFFFAOYSA-N
SMILES: Nc1n[nH]cc1c2cc(C(F)(F)F)ccc2Oc4cc(F)c(S(=O)(=O)Nc3nncs3)cc4Cl

Received at FYIcenter.com on: 2023-07-15

Molecule ID: FYI-1003655 Edit

Molecule Structure InChIKey: LRAAZMNBUIISTO-UHFFFAOYSA-N

Molecule Structure SMILES String: Nc1n[nH]cc1c2cc(C(F)(F)F)ccc2Oc4cc(F)c(S(=O)(=O)Nc3nncs3)cc4Cl

Download SDF Download SVG Structure in 2D SDF:

FYI-1003655
FYIcenter.com

 34 37  0  0  0  0  0  0  0  0999 V2000
    8.4870    3.5543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    4.2543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    5.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    6.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    5.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    4.2543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118    6.3543    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    7.0543    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.6119    5.1418    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   14.8524    4.6709    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7697    1.3314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1730    1.7643    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
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  3  4  2  0  0  0  0
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  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
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  1 12  1  0  0  0  0
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 13 14  1  0  0  0  0
 15 16  1  0  0  0  0
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 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 17 20  1  0  0  0  0
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 20 22  1  0  0  0  0
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 30 31  2  0  0  0  0
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 32 33  1  0  0  0  0
 24 33  2  0  0  0  0
 24 30  1  0  0  0  0
 30 34  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003655-3D
FYIcenter.com

 45 48  0     0  0  0  0  0  0999 V2000
   -1.3095    0.8217   -3.5752 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.6840    1.2102    0.6290 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6062   -2.7872    1.5277 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1589    1.4433    2.1845 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.7094   -4.2679    0.0962 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.4581   -2.9942   -0.1213 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.3685   -3.0244    1.7536 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.8446    1.1047   -1.4838 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.6159    1.2099   -0.4919 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7961   -0.2874    1.4733 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7585    3.6465    0.9320 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8193    3.9804   -0.3684 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3055    1.8739    2.4098 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7103   -1.6779   -0.5014 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2608   -2.9086   -0.9467 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8439    0.4266   -0.3327 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6690    0.1221   -1.0203 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2243    1.7924   -0.0918 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0550    1.1788    0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6669   -0.6001    0.1300 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3154   -1.9310   -0.0949 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4554    1.1268   -1.0107 C   0  0  0  0  0  0  0  0  0  0  0  0
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  8 18  1  0  0  0  0
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 21 22  2  0  0  0  0
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 31 40  1  0  0  0  0
 34 45  1  0  0  0  0
M  END
$$$$

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2023-07-29, 2152👍, 0💬