Molecule FYI-1002572

A

Molecule Summary:

ID: FYI-1002572
Names:
InChIKey: WCSSLMYJENCAMG-UHFFFAOYSA-N
SMILES: O=S4(=O)c1ccccc1N(Cc2cccc(Cl)c2)c3ccccc34

Received at FYIcenter.com on: 2023-04-10

Molecule ID: FYI-1002572 Edit

Molecule Structure InChIKey: WCSSLMYJENCAMG-UHFFFAOYSA-N

Molecule Structure SMILES String: O=S4(=O)c1ccccc1N(Cc2cccc(Cl)c2)c3ccccc34

Download SDF Download SVG Structure in 2D SDF:

FYI-1002572
FYIcenter.com

 24 27  0  0  0  0  0  0  0  0999 V2000
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.8000    0.0000 C   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
    4.8498    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.8000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.9746    1.5876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6746    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.7000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  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
  6  1  1  0  0  0  0
  7  5  1  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
 14  4  1  0  0  0  0
 15 14  2  0  0  0  0
 16 14  2  0  0  0  0
 17  7  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 23 18  1  0  0  0  0
 24 22  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002572-3D
FYIcenter.com

 38 41  0     0  0  0  0  0  0999 V2000
   -3.0864   -1.4591   -3.0627 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.2014    0.9729   -1.0650 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.4238    1.7224   -0.8477 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6898    0.6902   -2.3908 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2919   -0.2564    0.9414 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1246    1.1293    0.7024 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4501   -1.0168    0.6489 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9356    1.8258   -0.2033 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4157   -0.5708   -0.2632 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8222   -0.9608    1.5916 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8433    1.9039    1.3736 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7239   -2.2524    1.2701 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7968    3.1947   -0.4600 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5710   -1.2976   -0.5724 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0729   -0.9206    0.7618 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9972    3.2750    1.1303 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8748   -2.9942    0.9739 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1796    3.9191    0.2101 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7960   -2.5184    0.0492 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0011   -1.1777   -0.6021 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2898   -0.6276    1.3660 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1630   -1.1414   -1.3730 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4517   -0.5913    0.5952 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3883   -0.8482   -0.7744 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9791   -0.5622    2.6023 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6670   -2.0312    1.7437 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4910    1.4815    2.1357 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0961   -2.6707    2.0502 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4394    3.7004   -1.1751 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2951   -0.9236   -1.2906 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7537    3.8372    1.6706 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0537   -3.9386    1.4804 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2984    4.9817    0.0226 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6889   -3.0923   -0.1784 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0529   -1.4207   -1.0747 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3532   -0.4286    2.4322 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4058   -0.3636    1.0615 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3019   -0.8166   -1.3625 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 22  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  2  0  0  0  0
  2  8  1  0  0  0  0
  2  9  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 10  1  0  0  0  0
  6  8  1  0  0  0  0
  6 11  2  0  0  0  0
  7  9  1  0  0  0  0
  7 12  2  0  0  0  0
  8 13  2  0  0  0  0
  9 14  2  0  0  0  0
 10 15  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
 11 16  1  0  0  0  0
 11 27  1  0  0  0  0
 12 17  1  0  0  0  0
 12 28  1  0  0  0  0
 13 18  1  0  0  0  0
 13 29  1  0  0  0  0
 14 19  1  0  0  0  0
 14 30  1  0  0  0  0
 15 20  2  0  0  0  0
 15 21  1  0  0  0  0
 16 18  2  0  0  0  0
 16 31  1  0  0  0  0
 17 19  2  0  0  0  0
 17 32  1  0  0  0  0
 18 33  1  0  0  0  0
 19 34  1  0  0  0  0
 20 22  1  0  0  0  0
 20 35  1  0  0  0  0
 21 23  2  0  0  0  0
 21 36  1  0  0  0  0
 22 24  2  0  0  0  0
 23 24  1  0  0  0  0
 23 37  1  0  0  0  0
 24 38  1  0  0  0  0
M  END
$$$$

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2023-04-25, 2317👍, 0💬