Molecule FYI-1004875

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A

Molecule Summary:

ID: FYI-1004875
Names:
InChIKey: RZCSJYSPAMMGFU-UHFFFAOYSA-N
SMILES: O=s2sc(c1ccccc1)nn2c3ccc(F)cc3

Received at FYIcenter.com on: 2023-09-25

Molecule ID: FYI-1004875 Edit

Molecule Structure InChIKey: RZCSJYSPAMMGFU-UHFFFAOYSA-N

Molecule Structure SMILES String: O=s2sc(c1ccccc1)nn2c3ccc(F)cc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1004875
FYIcenter.com

 19 21  0  0  0  0  0  0  0  0999 V2000
   11.2424    5.1292    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.0300    4.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8176    5.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6051    4.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6051    3.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8176    2.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0300    3.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3927    2.3292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1138    2.8986    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1769    1.8582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8769    0.6458    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.2464    0.9369    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.2867    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7846    2.0045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2152    3.2836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8228    3.4299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.2973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5694    1.0182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9617    0.8719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  7  2  1  0  0  0  0
  8  5  1  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
 12 11  1  0  0  0  0
 12  8  1  0  0  0  0
 13 12  2  0  0  0  0
 14 10  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
 19 14  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004875-3D
FYIcenter.com

 28 30  0     1  0  0  0  0  0999 V2000
   -0.5276    2.4534    0.2652 S   0  0  1  0  0  0  0  0  0  0  0  0
    1.4746    2.3697   -0.0044 S   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7044   -1.7199   -0.0193 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9520    3.1247   -1.0067 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7440    0.7681    0.1805 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3767   -0.0215    0.1574 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0158    0.1302    0.1293 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5045    0.6197    0.0755 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8030   -0.0977    0.0266 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0961   -1.2606    0.0580 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1815    0.8958    0.1505 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8770   -1.3688   -0.5430 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9498    0.5003    0.5490 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3420   -1.8857    0.0078 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4275    0.2709    0.1004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5078   -1.1198    0.0290 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0979   -2.0420   -0.5902 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1705   -0.1728    0.5019 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2446   -1.4439   -0.0677 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2114   -1.8910    0.0393 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1768    1.9792    0.2101 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9965   -1.8499   -0.9607 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9297    1.4783    1.0205 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4055   -2.9685   -0.0478 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3358    0.8660    0.1179 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1560   -3.0313   -1.0346 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0628    0.2903    0.9131 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1950   -1.9683   -0.1036 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  4  2  0  0  0  0
  1  5  1  0  0  0  0
  2  8  1  0  0  0  0
  3 16  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  2  0  0  0  0
  7 10  2  0  0  0  0
  7 11  1  0  0  0  0
  8  9  1  0  0  0  0
  9 12  2  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 10 20  1  0  0  0  0
 11 15  2  0  0  0  0
 11 21  1  0  0  0  0
 12 17  1  0  0  0  0
 12 22  1  0  0  0  0
 13 18  2  0  0  0  0
 13 23  1  0  0  0  0
 14 16  2  0  0  0  0
 14 24  1  0  0  0  0
 15 16  1  0  0  0  0
 15 25  1  0  0  0  0
 17 19  2  0  0  0  0
 17 26  1  0  0  0  0
 18 19  1  0  0  0  0
 18 27  1  0  0  0  0
 19 28  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-10-15, 2106👍, 0💬