Molecule FYI-1009250

A

Molecule Summary:

ID: FYI-1009250
Names:
InChIKey: GFUYYCMXPKRQLN-UHFFFAOYSA-N
SMILES: CCNC(=S)NNS(=O)(=O)c1ccc2c(c1)n(C)c(=O)c(=O)n2C

Received at FYIcenter.com on: 2024-05-04

Molecule ID: FYI-1009250 Edit

Molecule Structure InChIKey: GFUYYCMXPKRQLN-UHFFFAOYSA-N

Molecule Structure SMILES String: CCNC(=S)NNS(=O)(=O)c1ccc2c(c1)n(C)c(=O)c(=O)n2C

Download SDF Download SVG Structure in 2D SDF:

FYI-1009250
FYIcenter.com

 24 25  0  0  0  0  0  0  0  0999 V2000
   12.1244    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.5746    0.1876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9746    0.1876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    1.4000    0.0000 N   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
    3.6373    3.5000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    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  3  1  0  0  0  0
  6  5  2  0  0  0  0
  7  5  1  0  0  0  0
  8  7  1  0  0  0  0
  9  7  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 14  9  1  0  0  0  0
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 15 12  1  0  0  0  0
 16 15  2  0  0  0  0
 17 15  2  0  0  0  0
 18 15  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 22 20  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009250-3D
FYIcenter.com

 41 42  0  0  0  0  0  0  0  0999 V2000
    7.0173    1.5753   -5.0580 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5741    1.1525   -4.8570 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5244   -0.2349   -4.4248 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4695   -0.8308   -3.7635 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9369   -0.2144   -3.5729 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.7948   -2.0578   -3.2307 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1734   -2.4958   -3.2065 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4997   -4.1372   -3.0432 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0982   -4.5328   -1.7117 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9795   -4.7892   -4.2192 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2691   -4.2955   -3.1264 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1200   -3.2035   -3.2368 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4919   -3.4208   -3.3193 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0379   -4.7183   -3.3193 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1725   -5.8299   -3.2359 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7917   -5.5972   -3.1162 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7090   -7.1471   -3.2925 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8910   -8.3449   -3.3174 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0843   -7.3746   -3.4160 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5696   -8.4984   -3.5166 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0202   -6.1646   -3.4319 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2325   -6.3591   -3.4775 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4449   -4.8980   -3.4027 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3380   -3.7485   -3.4276 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0783    2.6423   -5.2888 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4812    1.0152   -5.8769 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6057    1.3833   -4.1535 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0016    1.2544   -5.7849 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1115    1.7775   -4.0878 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0185   -0.8934   -5.0145 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0893   -2.6339   -2.7730 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8870   -1.8192   -3.4602 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7746   -2.1799   -3.2543 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1228   -2.5388   -3.3931 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0769   -6.4073   -3.0079 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8210   -8.1783   -3.2238 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2063   -9.0031   -2.5000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0712   -8.8685   -4.2632 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3886   -4.0420   -3.5023 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2169   -3.1765   -2.5019 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1084   -3.1236   -4.2964 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  2  3  1  0  0  0  0
  2 28  1  0  0  0  0
  2 29  1  0  0  0  0
  3  4  1  0  0  0  0
  3 30  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 31  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  2  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 16  2  0  0  0  0
 12 13  2  0  0  0  0
 12 33  1  0  0  0  0
 13 14  1  0  0  0  0
 13 34  1  0  0  0  0
 14 15  2  0  0  0  0
 14 23  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 35  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 36  1  0  0  0  0
 18 37  1  0  0  0  0
 18 38  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 39  1  0  0  0  0
 24 40  1  0  0  0  0
 24 41  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-05-16, 1250👍, 0💬