Molecule FYI-1015053

A

Molecule Summary:

ID: FYI-1015053
Names:
InChIKey: ZMHUMEVUWLVXSZ-FMQUCBEESA-N
SMILES: O=c3ccc(/N=N/c2ccc(S(=O)(=O)Nc1ncccn1)cc2)c[nH]3

Received at FYIcenter.com on: 2025-06-19

Molecule ID: FYI-1015053 Edit

Molecule Structure InChIKey: ZMHUMEVUWLVXSZ-FMQUCBEESA-N

Molecule Structure SMILES String: O=c3ccc(/N=N/c2ccc(S(=O)(=O)Nc1ncccn1)cc2)c[nH]3

Download SDF Download SVG Structure in 2D SDF:

FYI-1015053
FYIcenter.com

 25 27  0  0  0  0  0  0  0  0999 V2000
   15.7617    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    0.0000 N   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
    7.2747    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.1498    0.8876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5498    0.8876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 N   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
    1.2125    2.8000    0.0000 N   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
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  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  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  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 12  2  0  0  0  0
 15 12  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 20  2  0  0  0  0
 21 16  1  0  0  0  0
 22 11  1  0  0  0  0
 23 22  2  0  0  0  0
 23  8  1  0  0  0  0
 24  5  2  0  0  0  0
 25 24  1  0  0  0  0
 25  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015053-3D
FYIcenter.com

 37 39  0  0  0  0  0  0  0  0999 V2000
    2.0150    0.0375   -0.0308 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7911    0.0298    0.0031 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0191    1.2492    0.3532 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3217    1.2061    0.3856 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0478   -0.0189    0.0703 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4210   -0.0491    0.1508 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0289    1.0126   -0.1022 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4326    0.9007    0.0101 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0900    0.0061    0.8707 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4890   -0.0282    0.9435 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2468    0.8571    0.1713 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0217    0.7103    0.1425 S   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4681    1.3048   -1.1031 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3560   -0.6640    0.4496 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5516    1.7496    1.3451 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6387    1.1431    2.5941 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5303    1.1138    3.3367 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6333    0.4193    4.4844 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7659   -0.2693    4.8567 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8340   -0.1706    3.9940 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8079    0.5577    2.8632 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6131    1.7550   -0.6895 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2155    1.7743   -0.7595 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3341   -1.1156   -0.2371 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0409   -1.0883   -0.2714 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5880    2.1420    0.5754 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8826    2.0959    0.6416 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5145   -0.6792    1.4881 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9765   -0.7489    1.5971 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4421    2.1471    1.0634 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7455    0.4215    5.1104 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8120   -0.8548    5.7646 H   0  0  0  0  0  0  0  0  0  0  0  0
  -12.7642   -0.6980    4.1869 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1917    2.4265   -1.3207 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7264    2.4723   -1.4360 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8051   -2.0653   -0.4636 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5641   -1.9237   -0.5045 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 25  1  0  0  0  0
  3  4  2  0  0  0  0
  3 26  1  0  0  0  0
  4  5  1  0  0  0  0
  4 27  1  0  0  0  0
  5  6  1  0  0  0  0
  5 24  2  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 23  2  0  0  0  0
  9 10  2  0  0  0  0
  9 28  1  0  0  0  0
 10 11  1  0  0  0  0
 10 29  1  0  0  0  0
 11 12  1  0  0  0  0
 11 22  2  0  0  0  0
 12 13  2  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 30  1  0  0  0  0
 16 17  1  0  0  0  0
 16 21  2  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 31  1  0  0  0  0
 19 20  2  0  0  0  0
 19 32  1  0  0  0  0
 20 21  1  0  0  0  0
 20 33  1  0  0  0  0
 22 23  1  0  0  0  0
 22 34  1  0  0  0  0
 23 35  1  0  0  0  0
 24 25  1  0  0  0  0
 24 36  1  0  0  0  0
 25 37  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-06-21, 1306👍, 0💬