Molecule FYI-1001225

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A

Molecule Summary:

ID: FYI-1001225
SMILES: O=c1sc2c(s1)cc(s2)c1ccc(s1)c1sc(c(c1C)C)c1ccc(s1)c1sc2c(c1)sc(=O)s2

Received at FYIcenter.com on: 2022-03-24

Molecule ID: FYI-1001225 Edit

Molecule Structure SMILES String: O=c1sc2c(s1)cc(s2)c1ccc(s1)c1sc(c(c1C)C)c1ccc(s1)c1sc2c(c1)sc(=O)s2

Download SDF Download SVG Structure in 2D SDF:

FYI-1001225
FYIcenter.com

 35 41  0  0  0  0  0  0  0  0999 V2000
   15.5073   17.0777    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2949   16.3777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0160   16.9471    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.0792   15.9068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7792   14.6944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1486   14.9854    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.8424   13.6539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5634   14.2234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7098   15.6157    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.3510   13.5234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0721   14.0928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1352   13.0524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8352   11.8399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2047   12.1310    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.2658   10.5610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8965   10.2700    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.7501    8.8775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0291    8.3081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9658    9.3486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3581    9.2022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3202    6.9388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5377    8.1775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2588    8.7470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3219    7.7066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0219    6.4942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3914    6.7852    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4525    5.2153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0830    4.9242    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.9367    3.5318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2158    2.9624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1525    4.0027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0693    1.5701    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    1.2790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1306    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4914    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
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 10  8  1  0  0  0  0
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 19 18  1  0  0  0  0
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 20 19  1  0  0  0  0
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 23 22  2  0  0  0  0
 24 23  1  0  0  0  0
 25 24  2  0  0  0  0
 26 25  1  0  0  0  0
 26 22  1  0  0  0  0
 27 25  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  2  0  0  0  0
 31 30  1  0  0  0  0
 31 27  2  0  0  0  0
 32 30  1  0  0  0  0
 33 32  1  0  0  0  0
 34 33  2  0  0  0  0
 35 33  1  0  0  0  0
 35 29  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001225-3D
FYIcenter.com

 47 53  0  0  0  0  0  0  0  0999 V2000
    3.5993    4.7494   -3.1965 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3615    3.8615   -2.8358 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0478    2.1454   -3.1817 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.5064    1.6149   -2.3955 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3327    2.5359   -1.8269 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8521    4.2057   -1.9346 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.4669    1.9758   -1.2190 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4637    0.5914   -1.3455 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0785    0.0397   -2.2182 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.4368   -0.3273   -0.8190 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2710   -1.6549   -0.4817 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4293   -2.1988    0.1460 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4416   -1.2651    0.2852 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0305    0.1950   -0.4903 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.6325   -1.3760    1.0899 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4796   -2.1752    2.5826 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.0723   -1.8041    3.0627 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7571   -1.1107    2.0741 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9110   -0.8618    0.9103 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3802   -0.1276   -0.3114 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1836   -0.6519    2.1541 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5132   -2.2084    4.3747 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3381   -1.5297    5.2476 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5523   -2.2415    6.4649 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8575   -3.4324    6.5022 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9958   -3.6919    5.0556 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.8283   -4.4288    7.5361 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1984   -4.7035    8.5454 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.4453   -6.0163    9.2813 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.2900   -7.5487    9.5035 S   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2344    2.5372   -0.6999 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3443   -2.2028   -0.6032 H   0  0  0  0  0  0  0  0  0  0  0  0
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   12.8156    0.7975   -0.4522 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2689   -0.7581   -1.1991 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.7067   -1.0177    3.0388 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.2213    0.4427    2.1683 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.7498   -1.0144    1.2908 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7749   -0.5616    5.0355 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1812   -1.8808    7.2691 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8308   -5.3034    7.3198 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  6  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  9  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 36  1  0  0  0  0
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 21 44  1  0  0  0  0
 22 23  2  0  0  0  0
 22 26  1  0  0  0  0
 23 24  1  0  0  0  0
 23 45  1  0  0  0  0
 24 25  2  0  0  0  0
 24 46  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 31  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 35  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  1  0  0  0  0
 31 47  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-05-15, 433👍, 0💬