Molecule FYI-1009144

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A

Molecule Summary:

ID: FYI-1009144
Names:
InChIKey: YLFCTDCIGABDBM-UHFFFAOYSA-N
SMILES: NCCCSCc3ccc2sc1ccccc1n(S)c2c3

Received at FYIcenter.com on: 2024-05-02

Molecule ID: FYI-1009144 Edit

Molecule Structure InChIKey: YLFCTDCIGABDBM-UHFFFAOYSA-N

Molecule Structure SMILES String: NCCCSCc3ccc2sc1ccccc1n(S)c2c3

Download SDF Download SVG Structure in 2D SDF:

FYI-1009144
FYIcenter.com

 21 23  0  0  0  0  0  0  0  0999 V2000
    7.2747    2.1000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    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    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    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
  8  7  2  0  0  0  0
  8  3  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 13  1  0  0  0  0
 21 20  2  0  0  0  0
 21 10  1  0  0  0  0
 21  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009144-3D
FYIcenter.com

 39 41  0  0  0  0  0  0  0  0999 V2000
   12.7325   -1.3338   -0.0720 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5940   -1.9705    0.5884 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5087   -0.9323    0.8618 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2998   -1.5662    1.5423 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0423   -0.2770    1.8318 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.7774   -1.2641    2.6861 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2486   -1.8962    3.9748 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7756   -1.1181    4.9991 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1720   -1.7224    6.1863 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0414   -3.1105    6.3781 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5758   -3.6781    7.9668 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.1813   -5.4005    7.9137 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4386   -6.0930    9.1194 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2076   -7.4540    9.2338 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7207   -8.1432    8.1418 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4696   -7.4710    6.9421 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6822   -6.0780    6.7843 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3935   -5.3753    5.5453 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1134   -6.3109    4.1476 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.5244   -3.9400    5.3674 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1307   -3.2880    4.1689 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4818   -2.0099   -0.1907 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1026   -0.5944    0.5252 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9265   -2.4308    1.5245 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2060   -2.7635   -0.0583 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2050   -0.4646   -0.0839 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9191   -0.1392    1.5030 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6067   -2.0070    2.4961 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8687   -2.3523    0.9132 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4074   -2.0211    1.9864 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9305   -0.6076    2.9145 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8897   -0.0414    4.8860 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5927   -1.0942    6.9687 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8318   -5.5560    9.9843 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4130   -7.9676   10.1670 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5366   -9.2126    8.2109 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0930   -8.0914    6.1411 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2198   -7.1953    4.6174 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7036   -3.8569    3.3493 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  2  3  1  0  0  0  0
  2 24  1  0  0  0  0
  2 25  1  0  0  0  0
  3  4  1  0  0  0  0
  3 26  1  0  0  0  0
  3 27  1  0  0  0  0
  4  5  1  0  0  0  0
  4 28  1  0  0  0  0
  4 29  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 30  1  0  0  0  0
  6 31  1  0  0  0  0
  7  8  1  0  0  0  0
  7 21  2  0  0  0  0
  8  9  2  0  0  0  0
  8 32  1  0  0  0  0
  9 10  1  0  0  0  0
  9 33  1  0  0  0  0
 10 11  1  0  0  0  0
 10 20  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 17  2  0  0  0  0
 13 14  2  0  0  0  0
 13 34  1  0  0  0  0
 14 15  1  0  0  0  0
 14 35  1  0  0  0  0
 15 16  2  0  0  0  0
 15 36  1  0  0  0  0
 16 17  1  0  0  0  0
 16 37  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 38  1  0  0  0  0
 20 21  1  0  0  0  0
 21 39  1  0  0  0  0
M  END
$$$$

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2024-05-05, 1321👍, 0💬