Molecule FYI-1004548

A

Molecule Summary:

ID: FYI-1004548
Names:
InChIKey: HDMAOPPDDJHKAZ-UHFFFAOYSA-N
SMILES: Cc2nc1ccccc1nc2SCC(=O)NC(=O)Nc3ccccc3

Received at FYIcenter.com on: 2023-09-13

Molecule ID: FYI-1004548 Edit

Molecule Structure InChIKey: HDMAOPPDDJHKAZ-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc2nc1ccccc1nc2SCC(=O)NC(=O)Nc3ccccc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1004548
FYIcenter.com

 25 27  0  0  0  0  0  0  0  0999 V2000
   12.1244    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    4.9000    0.0000 C   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
   13.3368    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
   10.9120    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    2.1000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    0.7000    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 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
    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 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  3  1  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
  9  8  1  0  0  0  0
  9  4  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 11  2  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 14  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19 17  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 24 23  1  0  0  0  0
 25 24  2  0  0  0  0
 25 20  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004548-3D
FYIcenter.com

 41 43  0     0  0  0  0  0  0999 V2000
   -3.5079   -2.2336   -0.7138 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9427   -3.3653    0.6433 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5134   -2.1272    1.1208 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3489    1.2904    1.2208 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1714    0.0511   -0.9695 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1771   -0.7449   -0.6586 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1887   -1.8965   -0.7734 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4284    1.9339    0.4816 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8319    1.3063   -0.6274 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6746    0.0355    0.8620 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0942   -0.5754   -0.2176 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0524    3.2352    0.8068 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8817    2.0032   -1.3702 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9507   -2.7981   -1.4572 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6997   -0.6358    1.7118 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1006    3.9237    0.0567 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5126    3.3049   -1.0363 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4179   -0.2300   -0.2159 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8630   -2.7378   -0.4112 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1347    0.6526   -1.0240 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9254   -0.6057    1.0279 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3285   -1.6316    0.0122 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3590    1.1596   -0.5883 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1498   -0.0987    1.4637 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8664    0.7841    0.6556 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5055    3.7326    1.6621 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4111    1.5285   -2.2291 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0618   -3.8397   -1.7742 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7159   -2.2050   -2.3457 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2895   -1.5370    2.1787 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0302    0.0274    2.5190 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5846   -0.8971    1.1227 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8219    4.9373    0.3277 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2310    3.8296   -1.6283 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8735   -0.4245   -1.5746 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1377   -1.4265   -1.6729 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7504    0.9535   -1.9953 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4302   -1.2834    1.7088 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9171    1.8468   -1.2173 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5463   -0.3903    2.4320 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8195    1.1790    0.9948 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 14  1  0  0  0  0
  2 19  2  0  0  0  0
  3 22  2  0  0  0  0
  4  8  1  0  0  0  0
  4 10  2  0  0  0  0
  5  9  1  0  0  0  0
  5 11  2  0  0  0  0
  6 18  1  0  0  0  0
  6 22  1  0  0  0  0
  6 35  1  0  0  0  0
  7 19  1  0  0  0  0
  7 22  1  0  0  0  0
  7 36  1  0  0  0  0
  8  9  1  0  0  0  0
  8 12  2  0  0  0  0
  9 13  2  0  0  0  0
 10 11  1  0  0  0  0
 10 15  1  0  0  0  0
 12 16  1  0  0  0  0
 12 26  1  0  0  0  0
 13 17  1  0  0  0  0
 13 27  1  0  0  0  0
 14 19  1  0  0  0  0
 14 28  1  0  0  0  0
 14 29  1  0  0  0  0
 15 30  1  0  0  0  0
 15 31  1  0  0  0  0
 15 32  1  0  0  0  0
 16 17  2  0  0  0  0
 16 33  1  0  0  0  0
 17 34  1  0  0  0  0
 18 20  2  0  0  0  0
 18 21  1  0  0  0  0
 20 23  1  0  0  0  0
 20 37  1  0  0  0  0
 21 24  2  0  0  0  0
 21 38  1  0  0  0  0
 23 25  2  0  0  0  0
 23 39  1  0  0  0  0
 24 25  1  0  0  0  0
 24 40  1  0  0  0  0
 25 41  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-09-23, 502👍, 0💬