Molecule Editor

Molecule ID: FYI-1013712 Edit

Molecule Structure InChIKey: XGQYGJKFUOSIIU-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(=O)Nc2sc(c1ccccc1)cc2C(=O)NC3CC3

Download SDF Download SVG Structure in 2D SDF:

FYI-1013712
FYIcenter.com

 21 23  0  0  0  0  0  0  0  0999 V2000
    8.2299    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9389    1.3693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9792    2.3061    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6073    1.8019    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3163    3.1714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2531    4.2118    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.5531    5.4242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1837    5.1331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0374    3.7408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8250    3.0408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8250    1.6408    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    3.7408    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    3.0408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.0408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    1.8284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1225    6.7032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5148    6.8495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0842    8.1286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2614    9.2612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8690    9.1147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2996    7.8358    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  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  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  5  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 10  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 15 13  1  0  0  0  0
 16  7  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
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013712-3D
FYIcenter.com

 37 39  0     0  0  0  0  0  0999 V2000
    1.0473   -1.5808   -0.0853 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2904   -0.3266    0.2115 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1071   -4.2404   -0.2451 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5257    1.8552    0.3652 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4298   -2.4559   -0.0378 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8206    2.4702    0.4589 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6213    2.7949   -0.7724 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0355    3.9022    0.0517 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3246    0.4681    0.2446 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9674   -0.0028    0.1401 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6444   -1.3364    0.0175 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1890    0.8291    0.1494 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3520    0.1000    0.0339 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7171    0.5655    0.0018 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1315    1.4420   -1.0010 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6227    0.1387    0.9732 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0402   -3.8132   -0.1653 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4515    1.8916   -1.0327 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9426    0.5885    0.9416 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3571    1.4649   -0.0613 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2179   -4.7549   -0.1885 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3732    2.1330    1.3304 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1785    2.6005   -1.7416 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6931    2.6454   -0.7300 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2006    4.4518   -0.3654 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7132    4.5001    0.6487 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7323    2.4872    0.3944 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1967    1.9082    0.2360 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4297   -2.2779    0.0233 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4407    1.7835   -1.7684 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3211   -0.5361    1.7709 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7745    2.5736   -1.8138 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6474    0.2582    1.6991 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3847    1.8153   -0.0857 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9475   -4.4239   -0.9329 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8821   -5.7626   -0.4481 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6872   -4.7747    0.7988 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 13  1  0  0  0  0
  2  9  2  0  0  0  0
  3 17  2  0  0  0  0
  4  6  1  0  0  0  0
  4  9  1  0  0  0  0
  4 27  1  0  0  0  0
  5 11  1  0  0  0  0
  5 17  1  0  0  0  0
  5 29  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 22  1  0  0  0  0
  7  8  1  0  0  0  0
  7 23  1  0  0  0  0
  7 24  1  0  0  0  0
  8 25  1  0  0  0  0
  8 26  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 28  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 18  1  0  0  0  0
 15 30  1  0  0  0  0
 16 19  2  0  0  0  0
 16 31  1  0  0  0  0
 17 21  1  0  0  0  0
 18 20  2  0  0  0  0
 18 32  1  0  0  0  0
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 19 33  1  0  0  0  0
 20 34  1  0  0  0  0
 21 35  1  0  0  0  0
 21 36  1  0  0  0  0
 21 37  1  0  0  0  0
M  END
$$$$