Molecule FYI-1004280

A

Molecule Summary:

ID: FYI-1004280
Names:
InChIKey: LOTWASIUGUPEBR-UHFFFAOYSA-N
SMILES: NCC4=NC3C=C(NS(=O)(=O)c1cccc2[nH]ccc12)C=CC3N4

Received at FYIcenter.com on: 2023-08-25

Molecule ID: FYI-1004280 Edit

Molecule Structure InChIKey: LOTWASIUGUPEBR-UHFFFAOYSA-N

Molecule Structure SMILES String: NCC4=NC3C=C(NS(=O)(=O)c1cccc2[nH]ccc12)C=CC3N4

Download SDF Download SVG Structure in 2D SDF:

FYI-1004280
FYIcenter.com

 24 27  0  0  0  0  0  0  0  0999 V2000
   11.0580    9.1440    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6580    9.1440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9580    7.9315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5657    7.7851    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    6.4157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.7157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.3157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.6157    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8959    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4653    1.2790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
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 23 24  2  0  0  0  0
 17 24  1  0  0  0  0
 16 22  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004280-3D
FYIcenter.com

 41 44  0  0  1  0  0  0  0  0999 V2000
    2.9433    0.5556    0.4243 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3068   -0.5274   -0.3501 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3028   -1.0127   -1.3918 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3444   -2.2753   -1.8048 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7591   -2.2896   -2.2556 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.3857   -3.3732   -3.0608 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6420   -3.0815   -3.4687 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4597   -4.2088   -3.6802 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6942   -4.7390   -5.2666 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.8658   -5.5923   -5.2282 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4364   -5.2405   -5.7683 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1443   -3.2973   -6.2057 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3045   -2.8989   -7.2607 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6377   -1.8108   -8.0631 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8068   -1.0825   -7.8360 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6358   -1.4884   -6.7835 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8352   -0.9608   -6.3588 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3207   -1.6831   -5.3042 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4322   -2.7021   -5.0483 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3446   -2.5861   -5.9658 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2408   -1.7638   -3.2306 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4697   -0.6860   -2.9639 C   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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  1 26  1  0  0  0  0
  2  3  1  0  0  0  0
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  3 24  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 23  1  0  0  0  0
  5 29  1  0  0  0  0
  6  7  2  0  0  0  0
  6 30  1  0  0  0  0
  7  8  1  0  0  0  0
  7 21  1  0  0  0  0
  8  9  1  0  0  0  0
  8 31  1  0  0  0  0
  9 10  2  0  0  0  0
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 12 13  1  0  0  0  0
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 24 41  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-09-07, 2724👍, 0💬