Molecule FYI-1008593

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A

Molecule Summary:

ID: FYI-1008593
Names:
InChIKey: ONAPFSOGVNPWER-UHFFFAOYSA-N
SMILES: CCCc1cc(=O)[nH]c(SC(C)C)n1

Received at FYIcenter.com on: 2024-04-28

Molecule ID: FYI-1008593 Edit

Molecule Structure InChIKey: ONAPFSOGVNPWER-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCc1cc(=O)[nH]c(SC(C)C)n1

Download SDF Download SVG Structure in 2D SDF:

FYI-1008593
FYIcenter.com

 14 14  0  0  0  0  0  0  0  0999 V2000
    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 N   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  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  6  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 11  1  0  0  0  0
 14  9  2  0  0  0  0
 14  4  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008593-3D
FYIcenter.com

 30 30  0     0  0  0  0  0  0999 V2000
    2.2504    0.6685    1.2298 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0427   -3.2293   -0.7532 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3741    0.4035    0.8346 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0100   -1.4009    0.1751 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8210    0.4918    0.6176 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5239   -0.2304    0.4310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1754    1.3398   -0.6005 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1429    0.7556   -0.3349 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8368   -0.2177    0.6849 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4481   -1.4577   -0.1089 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5073    2.0488   -0.4104 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2846    1.4614   -1.3777 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4715    1.4733   -0.1296 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1037   -2.1068   -0.2577 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6241   -0.2344    0.8004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7768    1.1189    1.5172 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3940    2.0883   -0.7801 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2315    0.7119   -1.4981 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3585   -0.2623   -0.6786 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4508    1.3317    1.2346 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3197   -2.0059   -0.4466 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4775    2.7136    0.4589 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3187    1.3284   -0.2652 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7439    2.6531   -1.2918 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8502    1.5818   -2.3092 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3838    0.8964   -1.6366 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9839    2.4639   -1.0517 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0349    1.5092   -1.0688 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0974    0.9540    0.6048 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3298    2.5066    0.2076 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1  9  1  0  0  0  0
  2 14  2  0  0  0  0
  3  6  1  0  0  0  0
  3  9  1  0  0  0  0
  3 20  1  0  0  0  0
  4  9  2  0  0  0  0
  4 14  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 15  1  0  0  0  0
  5 16  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
  7 17  1  0  0  0  0
  7 18  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 19  1  0  0  0  0
 10 14  1  0  0  0  0
 10 21  1  0  0  0  0
 11 22  1  0  0  0  0
 11 23  1  0  0  0  0
 11 24  1  0  0  0  0
 12 25  1  0  0  0  0
 12 26  1  0  0  0  0
 12 27  1  0  0  0  0
 13 28  1  0  0  0  0
 13 29  1  0  0  0  0
 13 30  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-06-03, 200👍, 0💬