Molecule FYI-1006024

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A

Molecule Summary:

ID: FYI-1006024
Names:
InChIKey: WSPOMRSOLSGNFJ-VGOFMYFVSA-N
SMILES: CN(C)CCC=c2c1ccccc1sc3ccc(Cl)cc23

Received at FYIcenter.com on: 2023-11-24

Molecule ID: FYI-1006024 Edit

Molecule Structure InChIKey: WSPOMRSOLSGNFJ-VGOFMYFVSA-N

Molecule Structure SMILES String: CN(C)CCC=c2c1ccccc1sc3ccc(Cl)cc23

Download SDF Download SVG Structure in 2D SDF:

FYI-1006024
FYIcenter.com

 21 23  0  0  0  0  0  0  0  0999 V2000
    7.2746    9.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.3999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    9.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.9999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.2999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.2999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.9999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.2999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 Cl  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  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  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
 13  8  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 16  7  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 20 15  1  0  0  0  0
 21 18  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006024-3D
FYIcenter.com

 39 41  0     0  0  0  0  0  0999 V2000
   -4.1034    3.4406    1.1488 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.9129   -1.8675   -1.4641 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.4418    1.5804   -0.5115 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1866    0.1107    0.1882 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2293    0.7818    0.1781 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6126    0.4986    0.0172 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2280   -1.3159    0.2666 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7616    1.0669    0.1483 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0118    1.8626   -0.5671 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4747   -0.3451   -0.7086 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5048   -2.2872   -0.4417 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1403    1.6637    0.6012 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3052   -1.7331    1.0681 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8232    0.0061   -0.8725 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1280   -3.6368   -0.3717 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4849    2.0004    0.4379 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6676   -3.0793    1.1362 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1968    2.6001   -1.2414 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8985    1.5069    0.8773 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3241    1.1752   -0.3026 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9549   -4.0293    0.4132 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5007   -0.1625   -0.3012 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5189    0.7942    1.2324 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6819    1.8803   -1.6143 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7904    2.8523   -0.1440 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4832    2.1146    0.0604 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5052    2.3137    1.2003 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8246   -1.0656    1.7466 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5002   -0.6282   -1.4407 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6765   -4.3990   -0.9210 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4902   -3.3881    1.7749 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0752    3.5975   -0.8033 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8757    2.6412   -2.2882 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2648    2.3553   -1.2525 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5758    2.3684    1.4734 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9945    1.4721    0.9160 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5759    0.5821    1.3656 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3728    1.4255   -0.4409 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2336   -5.0774    0.4692 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  2 10  1  0  0  0  0
  2 11  1  0  0  0  0
  3  9  1  0  0  0  0
  3 18  1  0  0  0  0
  3 19  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 22  1  0  0  0  0
  5 23  1  0  0  0  0
  6 10  2  0  0  0  0
  6 12  1  0  0  0  0
  7 11  1  0  0  0  0
  7 13  2  0  0  0  0
  8 26  1  0  0  0  0
  9 24  1  0  0  0  0
  9 25  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  2  0  0  0  0
 12 16  2  0  0  0  0
 12 27  1  0  0  0  0
 13 17  1  0  0  0  0
 13 28  1  0  0  0  0
 14 20  2  0  0  0  0
 14 29  1  0  0  0  0
 15 21  1  0  0  0  0
 15 30  1  0  0  0  0
 16 20  1  0  0  0  0
 17 21  2  0  0  0  0
 17 31  1  0  0  0  0
 18 32  1  0  0  0  0
 18 33  1  0  0  0  0
 18 34  1  0  0  0  0
 19 35  1  0  0  0  0
 19 36  1  0  0  0  0
 19 37  1  0  0  0  0
 20 38  1  0  0  0  0
 21 39  1  0  0  0  0
M  END
$$$$

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2023-12-01, 351👍, 0💬