Molecule FYI-1002562

A

Molecule Summary:

ID: FYI-1002562
Names:
InChIKey: KWFMYAZIDDJIKP-UHFFFAOYSA-N
SMILES: Cn3cccc(NC(=O)c1ccccc1NC(=O)c2ccsc2)c3=O

Received at FYIcenter.com on: 2023-04-10

Molecule ID: FYI-1002562 Edit

Molecule Structure InChIKey: KWFMYAZIDDJIKP-UHFFFAOYSA-N

Molecule Structure SMILES String: Cn3cccc(NC(=O)c1ccccc1NC(=O)c2ccsc2)c3=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1002562
FYIcenter.com

 25 27  0  0  0  0  0  0  0  0999 V2000
    9.6995    5.8834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.5834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.9834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    8.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.9834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.5834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    5.8834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.4834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    5.8834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.5834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.9834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.8834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    6.5834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.8834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.7834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.3835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.6835    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    1.6835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9961    0.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3655    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    1.2125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.1287    2.2529    0.0000 C   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  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  7  2  1  0  0  0  0
  8  7  2  0  0  0  0
  9  6  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 10  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 17 12  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 21 19  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 25 21  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002562-3D
FYIcenter.com

 40 42  0  0  0  0  0  0  0  0999 V2000
    0.1389    0.3884   -5.4977 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5171    0.6478   -4.2290 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3328   -0.3183   -3.6725 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9236   -0.1253   -2.4895 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6889    1.0834   -1.7453 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9080    2.0591   -2.2280 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6477    3.2571   -1.5933 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8900    3.5801   -0.2661 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2122    2.7832    0.6118 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8074    5.0326    0.0755 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0333    5.8753   -0.6819 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0471    7.2590   -0.5543 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9279    7.8088    0.3630 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6957    6.9783    1.1837 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6629    5.5810    1.0630 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4649    4.7394    1.9031 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5287    5.1574    2.6969 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9460    6.3110    2.7127 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2043    4.1454    3.5199 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9100    2.7573    3.7342 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8164    2.1454    4.5797 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0111    3.2257    5.1434 S   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3225    4.5092    4.2606 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2937    1.8790   -3.6056 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3749    2.7923   -4.0845 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1065   -0.6067   -5.8817 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2225    0.4577   -5.3563 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1681    1.1439   -6.2277 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4887   -1.2351   -4.2349 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5819   -0.8721   -2.0596 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1984    1.1751   -0.7940 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2403    3.9435   -2.2219 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7543    5.4772   -1.3909 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5658    7.9063   -1.1764 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0197    8.8881    0.4596 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3184    7.4784    1.9186 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2634    3.7418    1.8342 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0799    2.2156    3.2983 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8415    1.1143    4.9029 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7710    5.4938    4.3112 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  2  3  1  0  0  0  0
  2 24  1  0  0  0  0
  3  4  2  0  0  0  0
  3 29  1  0  0  0  0
  4  5  1  0  0  0  0
  4 30  1  0  0  0  0
  5  6  2  0  0  0  0
  5 31  1  0  0  0  0
  6  7  1  0  0  0  0
  6 24  1  0  0  0  0
  7  8  1  0  0  0  0
  7 32  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 15  2  0  0  0  0
 11 12  2  0  0  0  0
 11 33  1  0  0  0  0
 12 13  1  0  0  0  0
 12 34  1  0  0  0  0
 13 14  2  0  0  0  0
 13 35  1  0  0  0  0
 14 15  1  0  0  0  0
 14 36  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 37  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 23  2  0  0  0  0
 20 21  2  0  0  0  0
 20 38  1  0  0  0  0
 21 22  1  0  0  0  0
 21 39  1  0  0  0  0
 22 23  1  0  0  0  0
 23 40  1  0  0  0  0
 24 25  2  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-04-13, 1558👍, 0💬