Molecule FYI-1002222

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A

Molecule Summary:

ID: FYI-1002222
Names:
InChIKey: FOXSXNJTWXVMEA-UHFFFAOYSA-N
SMILES: c3ccc(Sc2cccc(Sc1ccccc1)c2)cc3

Received at FYIcenter.com on: 2023-02-05

Molecule ID: FYI-1002222 Edit

Molecule Structure InChIKey: FOXSXNJTWXVMEA-UHFFFAOYSA-N

Molecule Structure SMILES String: c3ccc(Sc2cccc(Sc1ccccc1)c2)cc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1002222
FYIcenter.com

 20 22  0  0  0  0  0  0  0  0999 V2000
   10.9118    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6993    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6993    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1242    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1242    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8001    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.7999    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
    6.0621    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    2.7999    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
    1.2125    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    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
  1  2  1  0  0  0  0
  1  6  2  0  0  0  0
  2  3  2  0  0  0  0
  2  7  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 13  2  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 14  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 20  2  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002222-3D
FYIcenter.com

 34 36  0     0  0  0  0  0  0999 V2000
   -2.7560   -1.4281   -0.9132 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.7489   -1.4410   -0.9131 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2093   -2.1180   -0.3438 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2028   -2.1218   -0.3448 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0039   -1.5826   -0.7908 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2158   -3.1892    0.5463 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2000   -3.1947    0.5467 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6171    0.2551   -0.3440 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6174    0.2471   -0.3426 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0093   -3.7284    0.9922 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4730    0.5213    1.0178 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6523    1.3065   -1.2601 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4749    0.5098    1.0177 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6583    1.2940   -1.2602 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3641    1.8385    1.4633 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5434    2.6238   -0.8145 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3723    1.8276    1.4632 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5560    2.6118   -0.8145 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3993    2.8897    0.5473 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4130    2.8786    0.5472 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0027   -0.7543   -1.4966 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1486   -3.6171    0.9047 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1303   -3.6278    0.9060 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0113   -4.5633    1.6867 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4486   -0.2810    1.7510 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7628    1.1187   -2.3253 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4467   -0.2928    1.7503 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7681    1.1048   -2.3250 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2524    2.0459    2.5235 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5699    3.4425   -1.5276 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2614    2.0355    2.5234 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5867    3.4304   -1.5276 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3138    3.9153    0.8942 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3326    3.9046    0.8940 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  8  1  0  0  0  0
  2  4  1  0  0  0  0
  2  9  1  0  0  0  0
  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  2  0  0  0  0
  5 21  1  0  0  0  0
  6 10  2  0  0  0  0
  6 22  1  0  0  0  0
  7 10  1  0  0  0  0
  7 23  1  0  0  0  0
  8 11  2  0  0  0  0
  8 12  1  0  0  0  0
  9 13  2  0  0  0  0
  9 14  1  0  0  0  0
 10 24  1  0  0  0  0
 11 15  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  2  0  0  0  0
 15 29  1  0  0  0  0
 16 19  1  0  0  0  0
 16 30  1  0  0  0  0
 17 20  2  0  0  0  0
 17 31  1  0  0  0  0
 18 20  1  0  0  0  0
 18 32  1  0  0  0  0
 19 33  1  0  0  0  0
 20 34  1  0  0  0  0
M  END
$$$$

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2023-02-28, 168👍, 0💬