Molecule FYI-1015316

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A

Molecule Summary:

ID: FYI-1015316
Names:
InChIKey: MAVUFIBNNZSDAV-UHFFFAOYSA-N
SMILES: CS(=O)(=O)Nc1ccc(N)c(S(=O)=O)c1

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

Molecule ID: FYI-1015316 Edit

Molecule Structure InChIKey: MAVUFIBNNZSDAV-UHFFFAOYSA-N

Molecule Structure SMILES String: CS(=O)(=O)Nc1ccc(N)c(S(=O)=O)c1

Download SDF Download SVG Structure in 2D SDF:

FYI-1015316
FYIcenter.com

 15 15  0  0  0  0  0  0  0  0999 V2000
    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 C   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
    0.5124    2.4248    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1988    3.0791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5961    2.9923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3699    4.1590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7464    5.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3491    5.4993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5753    4.3326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5202    6.5792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7256    6.7528    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.5285    6.0269    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7426    7.7496    0.0000 O   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
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015316-3D
FYIcenter.com

 25 25  0  0  0  0  0  0  0  0999 V2000
    4.2407    0.0414   -0.8205 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5377    0.0632    0.9353 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.6728   -0.7768    1.2387 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4831    1.4430    1.3718 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1204   -0.6485    1.5199 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1365   -2.0392    1.8277 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7570   -2.9546    0.8525 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7184   -4.3199    1.1531 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0271   -4.7932    2.4361 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0808   -6.1821    2.6303 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4904   -3.8605    3.3770 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9533   -4.3666    5.0160 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7658   -3.2293    5.8966 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2973   -5.6326    5.3030 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5336   -2.4858    3.0845 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0826    0.5349   -1.3117 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3189    0.5861   -1.0330 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1734   -0.9933   -1.1600 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7117   -0.0453    2.2371 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4668   -2.6194   -0.1386 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4232   -5.0177    0.3722 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4334   -6.7075    2.0483 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9756   -6.4583    3.6150 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2750   -4.6172    4.9928 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8736   -1.7733    3.8327 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  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 19  1  0  0  0  0
  6  7  1  0  0  0  0
  6 15  2  0  0  0  0
  7  8  2  0  0  0  0
  7 20  1  0  0  0  0
  8  9  1  0  0  0  0
  8 21  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
 10 22  1  0  0  0  0
 10 23  1  0  0  0  0
 11 12  1  0  0  0  0
 11 15  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  2  0  0  0  0
 12 24  1  0  0  0  0
 15 25  1  0  0  0  0
M  END
$$$$

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2025-08-18, 940👍, 0💬