Molecule FYI-1012625

A

Molecule Summary:

ID: FYI-1012625
Names:
InChIKey: YACVPLWPYJIXCP-UHFFFAOYSA-N
SMILES: NS(=O)(=O)c7cc(c1ccc5c(c1)[nH]c6c3[nH]c2ccccc2c3c4c(=O)[nH]c(=O)c4c56)ccc7F

Received at FYIcenter.com on: 2024-10-02

Molecule ID: FYI-1012625 Edit

Molecule Structure InChIKey: YACVPLWPYJIXCP-UHFFFAOYSA-N

Molecule Structure SMILES String: NS(=O)(=O)c7cc(c1ccc5c(c1)[nH]c6c3[nH]c2ccccc2c3c4c(=O)[nH]c(=O)c4c56)ccc7F

Download SDF Download SVG Structure in 2D SDF:

FYI-1012625
FYIcenter.com

 36 42  0  0  0  0  0  0  0  0999 V2000
   14.2068    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.9943    2.8000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.2943    4.0124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6943    1.5876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7819    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5695    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3570    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1446    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9321    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7197    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7197    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9321    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1446    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6411    6.2694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2488    6.4157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4259    7.5483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7170    8.9178    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5045    9.6178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2135   10.9872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8820   11.4198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4641    8.6810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4641    6.1230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6794    5.1368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4641    3.8578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8968    2.5263    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1326    4.2904    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1326    5.6904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.5134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3570    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5695    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7819    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9943    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  2  2  0  0  0  0
  5  2  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  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
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 13 12  2  0  0  0  0
 13  8  1  0  0  0  0
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 31 30  1  0  0  0  0
 31 25  1  0  0  0  0
 32 31  2  0  0  0  0
 33  7  2  0  0  0  0
 34 33  1  0  0  0  0
 35 34  2  0  0  0  0
 35  5  1  0  0  0  0
 36 35  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1012625-3D
FYIcenter.com

 51 57  0  0  0  0  0  0  0  0999 V2000
    2.4280   -0.4282    0.7240 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0150   -0.4772    0.1575 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.5520    0.8506    0.3521 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6305   -1.6323    0.7683 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8190   -0.7667   -1.5629 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2968    0.1508   -2.5003 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1626   -0.0840   -3.8868 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6683    0.9073   -4.8622 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0706    1.0848   -6.1184 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4765    2.1011   -7.0025 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5182    2.9744   -6.6392 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1388    2.7610   -5.3925 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7476    1.7419   -4.5188 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1352    3.7140   -5.2201 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1652    4.5359   -6.3057 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9499    5.6201   -6.6095 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9602    6.2378   -5.9339 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4409    7.3036   -6.6898 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4723    8.2047   -6.3897 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7676    9.1974   -7.3259 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0589    9.2853   -8.5188 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0303    8.3810   -8.8115 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7031    7.3671   -7.8913 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8065    6.3063   -7.7721 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8148    5.8913   -8.7002 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4191    6.3857   -9.9807 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7915    7.3127  -10.7023 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4064    5.5475  -10.3477 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0797    4.5521   -9.4633 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2596    1.6191   -3.5677 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7227    3.7828   -4.4024 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3204    5.9761   -5.0281 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.5627    9.9107   -7.1215 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9252    5.6559  -11.2246 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4003   -1.4964   -5.3485 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5738   -3.1080   -3.6708 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  2  4  2  0  0  0  0
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  8  9  1  0  0  0  0
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 20 21  1  0  0  0  0
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 21 22  2  0  0  0  0
 21 47  1  0  0  0  0
 22 23  1  0  0  0  0
 22 48  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 31  2  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
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 31 32  1  0  0  0  0
 33 34  2  0  0  0  0
 33 50  1  0  0  0  0
 34 35  1  0  0  0  0
 34 51  1  0  0  0  0
 35 36  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-10-14, 1066👍, 0💬