Molecule FYI-1007093

A

Molecule Summary:

ID: FYI-1007093
Names:
InChIKey: QVDOFKBKRDXAQC-UHFFFAOYSA-N
SMILES: O=Cc4ccc(c3ccc(c2nc1ccccc1s2)cc3)s4

Received at FYIcenter.com on: 2024-01-30

Molecule ID: FYI-1007093 Edit

Molecule Structure InChIKey: QVDOFKBKRDXAQC-UHFFFAOYSA-N

Molecule Structure SMILES String: O=Cc4ccc(c3ccc(c2nc1ccccc1s2)cc3)s4

Download SDF Download SVG Structure in 2D SDF:

FYI-1007093
FYIcenter.com

 22 25  0  0  0  0  0  0  0  0999 V2000
   14.8372    1.6834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6247    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4123    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1334    2.2529    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.2660    0.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8966    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1966    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8043    1.3588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2348    2.6378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8425    2.7841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9814    0.2262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5890    0.3725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0196    1.6515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6273    1.7979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9274    3.0103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5579    2.7192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4253    3.5421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1463    2.9726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.5803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1326    0.7574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4115    1.3268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6906    0.7574    0.0000 S   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  1  0  0  0  0
  5  3  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  7  4  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11  8  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 13 10  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  2  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
 21 16  1  0  0  0  0
 22 21  1  0  0  0  0
 22 14  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007093-3D
FYIcenter.com

 33 36  0     0  0  0  0  0  0999 V2000
    2.9859    1.5768   -0.1188 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3380    0.9136    0.6737 S   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1905    0.3815    0.3314 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0458   -0.9942    0.0770 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8015   -0.0358   -0.0632 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9833   -0.1820   -0.1371 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2429    0.0391   -0.0254 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5337    0.8243   -0.0140 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3634   -0.5598    0.0855 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1498   -1.1716    0.4172 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0608    1.0269   -0.5807 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4235   -0.2582   -0.1764 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2426   -1.2447    0.3803 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3315    0.9537   -0.6176 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8070    1.4163   -0.0190 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5098   -1.3782    0.1838 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2269   -1.1713   -0.8231 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9249    0.5838    0.0793 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7805   -0.7956    0.1795 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6116   -0.9057   -0.6179 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8137    0.2005    0.1779 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0444    0.7809    0.6074 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7051   -2.0111    0.8285 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5061    1.9255   -0.9967 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333   -2.1369    0.7623 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8871    1.7876   -1.0404 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9274    2.4925   -0.0967 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4085   -2.4570    0.2624 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8484   -1.9932   -1.4184 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9196    1.0218    0.0773 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6613   -1.4273    0.2552 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4137   -1.5004   -1.0365 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9604    1.6760    1.2496 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  8  1  0  0  0  0
  2 12  1  0  0  0  0
  2 21  1  0  0  0  0
  3 22  2  0  0  0  0
  4  7  2  0  0  0  0
  4  9  1  0  0  0  0
  5  7  1  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  2  0  0  0  0
  6 14  1  0  0  0  0
  8  9  1  0  0  0  0
  8 15  2  0  0  0  0
  9 16  2  0  0  0  0
 10 13  1  0  0  0  0
 10 23  1  0  0  0  0
 11 14  2  0  0  0  0
 11 24  1  0  0  0  0
 12 17  2  0  0  0  0
 13 25  1  0  0  0  0
 14 26  1  0  0  0  0
 15 18  1  0  0  0  0
 15 27  1  0  0  0  0
 16 19  1  0  0  0  0
 16 28  1  0  0  0  0
 17 20  1  0  0  0  0
 17 29  1  0  0  0  0
 18 19  2  0  0  0  0
 18 30  1  0  0  0  0
 19 31  1  0  0  0  0
 20 21  2  0  0  0  0
 20 32  1  0  0  0  0
 21 22  1  0  0  0  0
 22 33  1  0  0  0  0
M  END
$$$$

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2024-02-11, 186👍, 0💬