Molecule FYI-1015322

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A

Molecule Summary:

ID: FYI-1015322
Names:
InChIKey: YGCXDOXBXRVCNI-UHFFFAOYSA-N
SMILES: CS(=O)(=O)Nc2ccc1NC=CS(=O)(=O)c1c2

Received at FYIcenter.com on: 2025-08-04

Molecule ID: FYI-1015322 Edit

Molecule Structure InChIKey: YGCXDOXBXRVCNI-UHFFFAOYSA-N

Molecule Structure SMILES String: CS(=O)(=O)Nc2ccc1NC=CS(=O)(=O)c1c2

Download SDF Download SVG Structure in 2D SDF:

FYI-1015322
FYIcenter.com

 17 18  0  0  0  0  0  0  0  0999 V2000
    2.4206    1.9090    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2102    1.2102    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.5115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9090    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5115    2.4205    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1931    3.0736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5879    2.9870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3603    4.1516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7379    5.4028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3431    5.4895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5707    4.3249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5103    6.5674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7207    6.7407    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.5258    6.0161    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7395    7.7358    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6454    7.7919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0321    7.5995    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  2  2  0  0  0  0
  5  2  2  0  0  0  0
  1  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
  6 11  1  0  0  0  0
  6  7  2  0  0  0  0
 10 13  1  0  0  0  0
  9 12  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015322-3D
FYIcenter.com

 27 28  0     0  0  0  0  0  0999 V2000
   -2.2428   -1.3731    0.0816 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.5098   -0.5251   -0.1940 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3621   -1.9177    1.4211 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8083   -2.2033   -1.0261 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7316   -0.9684    0.4511 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7052   -1.4521   -0.9647 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7734    1.5970   -0.3845 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5487    0.3031    0.9709 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0668   -0.0581    0.1942 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4585    1.2626   -0.0476 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1997    0.6214    0.6289 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2476   -0.3892    0.5299 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4838    2.2635    0.0579 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8354    1.9462    0.3937 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7452   -0.6304   -0.3453 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7878    0.6933   -0.5091 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9508    0.8305   -1.2581 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5203   -1.4232    0.7243 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7448    3.3041   -0.1218 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5708    2.7435    0.4670 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9959    2.5712   -0.5482 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6266   -1.2473   -0.4731 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0350    1.0484    1.4874 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7233    1.1731   -0.7770 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6320    0.4489   -2.0221 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0512    1.2243   -1.7336 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4533    1.5984   -0.6670 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  4  2  0  0  0  0
  1  9  1  0  0  0  0
  1 15  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  2  0  0  0  0
  2  8  1  0  0  0  0
  2 17  1  0  0  0  0
  7 10  1  0  0  0  0
  7 16  1  0  0  0  0
  7 21  1  0  0  0  0
  8 11  1  0  0  0  0
  8 23  1  0  0  0  0
  9 10  2  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  2  0  0  0  0
 11 14  1  0  0  0  0
 12 18  1  0  0  0  0
 13 14  2  0  0  0  0
 13 19  1  0  0  0  0
 14 20  1  0  0  0  0
 15 16  2  0  0  0  0
 15 22  1  0  0  0  0
 16 24  1  0  0  0  0
 17 25  1  0  0  0  0
 17 26  1  0  0  0  0
 17 27  1  0  0  0  0
M  END
$$$$

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2025-08-18, 1073👍, 0💬