Molecule FYI-1009146

A

Molecule Summary:

ID: FYI-1009146
Names:
InChIKey: IGZGCROZQFVBFY-UHFFFAOYSA-N
SMILES: NS(=O)(=O)NS(=O)(=O)c3ccc2sc1ccccc1n(Br)c2c3

Received at FYIcenter.com on: 2024-05-02

Molecule ID: FYI-1009146 Edit

Molecule Structure InChIKey: IGZGCROZQFVBFY-UHFFFAOYSA-N

Molecule Structure SMILES String: NS(=O)(=O)NS(=O)(=O)c3ccc2sc1ccccc1n(Br)c2c3

Download SDF Download SVG Structure in 2D SDF:

FYI-1009146
FYIcenter.com

 23 25  0  0  0  0  0  0  0  0999 V2000
    7.2746    1.9124    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.3124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.1124    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    6.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.3124    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0249    3.3124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7249    4.5248    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.9124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.2124    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.5124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    2.4248    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  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
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  8  3  1  0  0  0  0
  9  8  1  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
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 14  2  0  0  0  0
 17 14  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 18  2  0  0  0  0
 21 18  2  0  0  0  0
 22 13  1  0  0  0  0
 23 22  2  0  0  0  0
 23 10  1  0  0  0  0
 23  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009146-3D
FYIcenter.com

 33 35  0  0  0  0  0  0  0  0999 V2000
    1.3455   -0.4111    0.3730 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9799   -0.3663   -0.0004 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.3525   -1.7410   -0.1671 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0678    0.6256   -1.0427 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5527    0.2165    1.4400 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2180    0.4088    1.4302 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.8161   -0.8854    1.1842 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5816    1.5755    0.6649 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5869    0.7973    3.1369 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5983    2.1209    3.5528 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0435    2.4105    4.8397 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4863    1.3928    5.7144 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0303    1.9588    7.3032 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.4850    0.4557    8.1260 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9239    0.6164    9.4576 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3207   -0.4728   10.2240 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2875   -1.7361    9.6625 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8513   -1.9023    8.3422 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4311   -0.8188    7.5306 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9687   -1.0085    6.1773 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9884   -2.7715    5.4930 Br  0  0  0  0  0  0  0  0  0  0  0  0
    6.4980    0.0439    5.3099 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0373   -0.2193    3.9958 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9025   -1.0286   -0.3174 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9565    0.5280    0.2639 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3049   -0.4642    2.1469 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3058    2.9288    2.8855 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0710    3.4527    5.1582 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9591    1.6070    9.9085 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6546   -0.3322   11.2483 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5985   -2.6011   10.2435 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8534   -2.9247    7.9779 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0537   -1.2277    3.5932 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  2  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 26  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 23  2  0  0  0  0
 10 11  2  0  0  0  0
 10 27  1  0  0  0  0
 11 12  1  0  0  0  0
 11 28  1  0  0  0  0
 12 13  1  0  0  0  0
 12 22  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 19  2  0  0  0  0
 15 16  2  0  0  0  0
 15 29  1  0  0  0  0
 16 17  1  0  0  0  0
 16 30  1  0  0  0  0
 17 18  2  0  0  0  0
 17 31  1  0  0  0  0
 18 19  1  0  0  0  0
 18 32  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 33  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-05-05, 1747👍, 0💬