Molecule FYI-1014062

A

Molecule Summary:

ID: FYI-1014062
Names:
InChIKey: MUNBFQVXYTWVIN-UHFFFAOYSA-N
SMILES: CS(=O)(=O)C2N=CC(Cl)=C(C(=O)NC1C=CC=C(I)C1)N2

Received at FYIcenter.com on: 2025-02-25

Molecule ID: FYI-1014062 Edit

Molecule Structure InChIKey: MUNBFQVXYTWVIN-UHFFFAOYSA-N

Molecule Structure SMILES String: CS(=O)(=O)C2N=CC(Cl)=C(C(=O)NC1C=CC=C(I)C1)N2

Download SDF Download SVG Structure in 2D SDF:

FYI-1014062
FYIcenter.com

 21 22  0  0  0  0  0  0  0  0999 V2000
   10.9120    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    3.5000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.3996    4.7124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9996    2.2876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    6.3000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    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  2  2  0  0  0  0
  5  2  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  8  2  0  0  0  0
 11 10  1  0  0  0  0
 11  5  1  0  0  0  0
 12 10  1  0  0  0  0
 13 12  2  0  0  0  0
 14 12  1  0  0  0  0
 15 14  1  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
 20 19  1  0  0  0  0
 21 19  1  0  0  0  0
 21 15  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014062-3D
FYIcenter.com

 34 35  0  0  1  0  0  0  0  0999 V2000
    2.5463   -1.6472   -0.2694 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8330    0.1062   -0.1491 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.9332    0.4381   -1.0384 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5509    0.7752   -0.3056 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3861    0.3180    1.6381 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5710   -0.5095    1.9458 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6452    0.1429    2.2275 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8317    1.6044    2.3762 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4330    2.1229    2.6869 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.7001    2.3284    2.3247 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7537    3.8265    2.5520 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7727    4.4957    2.4378 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5475    4.3894    2.9187 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4747    5.7955    3.3023 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.0860    6.2681    2.9778 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2947    6.8903    3.8629 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7282    7.1465    5.2116 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9379    6.7650    5.6506 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5209    7.1922    7.5972 I   0  0  0  0  0  0  0  0  0  0  0  0
    3.9300    6.0334    4.7716 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4543    1.7269    2.0940 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2196   -1.8746   -1.2879 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7633   -1.9265    0.4396 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4716   -2.1806   -0.0522 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5479   -0.1239    2.1908 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5545   -0.4564    2.4100 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7848    3.7700    3.1693 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1632    6.3497    2.6506 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7395    6.1367    1.9565 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3114    7.2490    3.5730 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0310    7.6790    5.8549 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1839    5.0769    5.2480 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8596    6.6176    4.7428 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8442    2.3282    1.5327 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  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 21  1  0  0  0  0
  5 25  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 26  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 21  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 27  1  0  0  0  0
 14 15  1  0  0  0  0
 14 20  1  0  0  0  0
 14 28  1  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 20  1  0  0  0  0
 20 32  1  0  0  0  0
 20 33  1  0  0  0  0
 21 34  1  0  0  0  0
M  END
$$$$

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2025-03-12, 1427👍, 0💬