Molecule FYI-1006718

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A

Molecule Summary:

ID: FYI-1006718
Names:
InChIKey: ZTQZBABFEUDZFE-UHFFFAOYSA-N
SMILES: NCCCn3c1ccccc1sc2ccc(Cl)cc23

Received at FYIcenter.com on: 2024-01-12

Molecule ID: FYI-1006718 Edit

Molecule Structure InChIKey: ZTQZBABFEUDZFE-UHFFFAOYSA-N

Molecule Structure SMILES String: NCCCn3c1ccccc1sc2ccc(Cl)cc23

Download SDF Download SVG Structure in 2D SDF:

FYI-1006718
FYIcenter.com

 19 21  0  0  0  0  0  0  0  0999 V2000
    8.4871    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    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 N   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    6.3000    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 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
    2.4249    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
    4.8497    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
    4.8497    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
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 11  6  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  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  1  0  0  0  0
 18 16  2  0  0  0  0
 19 18  1  0  0  0  0
 19  5  1  0  0  0  0
 19 13  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006718-3D
FYIcenter.com

 34 36  0     0  0  0  0  0  0999 V2000
   -4.8800   -0.3090    0.3022 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.5531    2.8202   -0.2382 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.2371   -0.2624   -0.4870 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1868   -5.0249    0.7701 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1051   -1.6230   -1.0238 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9574    0.4601   -0.2388 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5452    0.1999   -0.1945 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0217   -2.6455    0.1091 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9399    1.8603   -0.0833 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8105    1.5743   -0.0346 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0622   -4.1036   -0.3529 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2062   -0.1846   -0.1002 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6292   -0.6871   -0.0150 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1265    2.5712    0.1706 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1083    2.0271    0.2630 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3816    0.5263    0.1571 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9160   -0.2320    0.2853 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3422    1.9059    0.2896 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1565    1.1267    0.4213 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7661   -1.7114   -1.6860 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9462   -1.8626   -1.6885 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8503   -2.4425    0.7409 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8674   -2.5529    0.7980 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8324   -4.3589   -0.9315 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9285   -4.2308   -1.0110 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3045   -1.2602   -0.2068 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5316   -1.7607   -0.1321 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1155    3.6540    0.2789 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3165    3.0893    0.3747 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7283   -0.9431    0.4052 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2454    2.4770    0.4866 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1550    1.4857    0.6509 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6258   -4.9352    1.3787 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1805   -5.9833    0.4237 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  2  9  1  0  0  0  0
  2 10  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4 11  1  0  0  0  0
  4 33  1  0  0  0  0
  4 34  1  0  0  0  0
  5  8  1  0  0  0  0
  5 20  1  0  0  0  0
  5 21  1  0  0  0  0
  6  9  2  0  0  0  0
  6 12  1  0  0  0  0
  7 10  1  0  0  0  0
  7 13  2  0  0  0  0
  8 11  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
  9 14  1  0  0  0  0
 10 15  2  0  0  0  0
 11 24  1  0  0  0  0
 11 25  1  0  0  0  0
 12 16  2  0  0  0  0
 12 26  1  0  0  0  0
 13 17  1  0  0  0  0
 13 27  1  0  0  0  0
 14 18  2  0  0  0  0
 14 28  1  0  0  0  0
 15 19  1  0  0  0  0
 15 29  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 17 30  1  0  0  0  0
 18 31  1  0  0  0  0
 19 32  1  0  0  0  0
M  END
$$$$

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2024-01-24, 902👍, 0💬