Molecule FYI-1008500

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A

Molecule Summary:

ID: FYI-1008500
Names:
InChIKey: FVOSEZIZYKLUKV-UHFFFAOYSA-N
SMILES: Cc1ccnc(NS(=O)(=O)N(C)C)c1

Received at FYIcenter.com on: 2024-04-28

Molecule ID: FYI-1008500 Edit

Molecule Structure InChIKey: FVOSEZIZYKLUKV-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc1ccnc(NS(=O)(=O)N(C)C)c1

Download SDF Download SVG Structure in 2D SDF:

FYI-1008500
FYIcenter.com

 14 14  0  0  0  0  0  0  0  0999 V2000
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.3622    0.8876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7622    0.8876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 N   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  1  0  0  0  0
  5  4  2  0  0  0  0
  6  4  2  0  0  0  0
  7  4  1  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  1  0  0  0  0
 12 10  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 14  8  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008500-3D
FYIcenter.com

 27 27  0     0  0  0  0  0  0999 V2000
    2.1163    0.5498    0.3407 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.8514    1.7181   -0.4777 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1961    0.6011    1.3123 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3987   -0.8039   -0.6887 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6989    0.0811    1.1975 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7549    1.3540   -0.1561 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5918    0.2384    0.5813 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6267   -2.1231   -0.0501 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6521   -0.9121   -1.9645 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5576   -0.7288    0.7727 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7899   -0.5364    0.1580 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0058    0.6002   -0.6135 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8748   -1.5451    0.3259 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9656    1.5068   -0.7380 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7856   -0.7088    1.8498 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2605   -2.0206    0.8349 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1473   -2.7869   -0.7475 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6756   -2.5811    0.2355 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6087    0.0558   -2.4706 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6370   -1.2774   -1.7877 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1665   -1.6057   -2.6372 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3646   -1.6092    1.3771 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9538    0.7810   -1.1084 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8638   -1.0836    0.2329 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7815   -2.3273   -0.4340 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8300   -2.0098    1.3168 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0824    2.4088   -1.3296 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5  7  1  0  0  0  0
  5 15  1  0  0  0  0
  6  7  2  0  0  0  0
  6 14  1  0  0  0  0
  7 10  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  1  0  0  0  0
  8 18  1  0  0  0  0
  9 19  1  0  0  0  0
  9 20  1  0  0  0  0
  9 21  1  0  0  0  0
 10 11  2  0  0  0  0
 10 22  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  2  0  0  0  0
 12 23  1  0  0  0  0
 13 24  1  0  0  0  0
 13 25  1  0  0  0  0
 13 26  1  0  0  0  0
 14 27  1  0  0  0  0
M  END
$$$$

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