Molecule FYI-1003600

A

Molecule Summary:

ID: FYI-1003600
Names:
InChIKey: IWLUZTZPGIBSPO-UHFFFAOYSA-N
SMILES: Cn1nccc1c2cc(Cl)ccc2Oc4ccc(S(=O)(=O)Nc3ncsn3)cc4C#N

Received at FYIcenter.com on: 2023-07-10

Molecule ID: FYI-1003600 Edit

Molecule Structure InChIKey: IWLUZTZPGIBSPO-UHFFFAOYSA-N

Molecule Structure SMILES String: Cn1nccc1c2cc(Cl)ccc2Oc4ccc(S(=O)(=O)Nc3ncsn3)cc4C#N

Download SDF Download SVG Structure in 2D SDF:

FYI-1003600
FYIcenter.com

 31 34  0  0  0  0  0  0  0  0999 V2000
    3.6765    4.2544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6765    5.6544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4641    6.3544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2517    5.6544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2517    4.2544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4641    3.5544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4641    2.1544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3315    1.3315    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7641    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1641    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5967    1.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.7641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8890    3.5544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0404    4.3508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3058    3.7518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4572    4.5482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3433    5.9435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0779    6.5425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9264    5.7461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4198    2.3564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5337    0.9611    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0392    6.3544    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.4947    6.7399    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.7601    6.1409    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3807    8.1352    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6461    7.5363    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.9115    6.9373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1707    5.5615    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.5593    5.3829    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.1582    6.6483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1399    7.6090    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  6  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
  7 11  2  0  0  0  0
  7  8  1  0  0  0  0
  8 12  1  0  0  0  0
  1 13  1  0  0  0  0
 13 14  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 15 20  1  0  0  0  0
 20 21  3  0  0  0  0
  4 22  1  0  0  0  0
 17 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  2  0  0  0  0
 23 26  1  0  0  0  0
 26 27  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 27 31  1  0  0  0  0
 27 28  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003600-3D
FYIcenter.com

 44 47  0  0  0  0  0  0  0  0999 V2000
    1.5126   -5.3234    3.1979 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5695   -5.9667    1.9070 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2161   -7.1536    1.8591 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1174   -7.5321    0.5914 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4404   -6.5825   -0.1816 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0457   -5.5661    0.6877 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1424   -4.4233    0.3904 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7776   -4.6115   -0.6713 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7087   -3.6371   -1.0321 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7529   -3.8971   -2.3733 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.8055   -2.4677   -0.3018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9331   -2.2617    0.7632 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1029   -3.1793    1.0565 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0914   -2.8556    1.9802 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3963   -1.5181    2.1822 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5384   -0.6505    1.0886 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6055    0.7232    1.2850 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6447    1.2285    2.5873 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5502    3.0000    2.8036 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7735    3.5237    1.6993 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1295    3.2213    4.1717 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1239    3.5603    2.7117 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0313    2.8606    1.9460 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0756    2.9943    0.5718 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0844    2.2786    0.1221 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8707    1.4052    1.3689 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.9132    2.0754    2.5614 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6440    0.3641    3.6931 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5256   -1.0200    3.4918 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5144   -1.9032    4.6265 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5284   -2.6130    5.5450 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7019   -6.0611    3.9824 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5222   -4.8937    3.3508 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3062   -4.5730    3.2247 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5343   -8.4845    0.2894 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2218   -6.6612   -1.2373 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7827   -5.5412   -1.2364 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5399   -1.7086   -0.5577 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0490   -1.3411    1.3308 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4972   -1.0358    0.0710 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5917    1.3923    0.4272 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4561    3.7078    3.6609 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3851    2.2385   -0.9162 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7011    0.7672    4.7049 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 32  1  0  0  0  0
  1 33  1  0  0  0  0
  1 34  1  0  0  0  0
  2  3  1  0  0  0  0
  2  6  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 35  1  0  0  0  0
  5  6  2  0  0  0  0
  5 36  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 13  2  0  0  0  0
  8  9  2  0  0  0  0
  8 37  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 38  1  0  0  0  0
 12 13  1  0  0  0  0
 12 39  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 29  2  0  0  0  0
 16 17  2  0  0  0  0
 16 40  1  0  0  0  0
 17 18  1  0  0  0  0
 17 41  1  0  0  0  0
 18 19  1  0  0  0  0
 18 28  2  0  0  0  0
 19 20  2  0  0  0  0
 19 21  2  0  0  0  0
 19 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 42  1  0  0  0  0
 23 24  1  0  0  0  0
 23 27  2  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 25 43  1  0  0  0  0
 26 27  1  0  0  0  0
 28 29  1  0  0  0  0
 28 44  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  3  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-07-29, 2145👍, 0💬