Molecule FYI-1003660

A

Molecule Summary:

ID: FYI-1003660
Names:
InChIKey: AFOMKYNMVPNGJN-UHFFFAOYSA-N
SMILES: O=S(=O)(Nc1ncns1)c4cc(F)c(Oc2ccc(Cl)cc2c3ccccc3)cc4F

Received at FYIcenter.com on: 2023-07-15

Molecule ID: FYI-1003660 Edit

Molecule Structure InChIKey: AFOMKYNMVPNGJN-UHFFFAOYSA-N

Molecule Structure SMILES String: O=S(=O)(Nc1ncns1)c4cc(F)c(Oc2ccc(Cl)cc2c3ccccc3)cc4F

Download SDF Download SVG Structure in 2D SDF:

FYI-1003660
FYIcenter.com

 31 34  0  0  0  0  0  0  0  0999 V2000
    7.2747    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.8998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    6.2998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    6.9998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    6.2998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.8998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.9998    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    7.6999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3995    5.7874    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9994    8.2123    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    6.9999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2707    5.6075    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.6401    5.3165    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.3401    6.5289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4033    7.5693    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2748    8.3998    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.2748    2.7999    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.1999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    4.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    6.2999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2123    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2122    0.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4246    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6370    0.6999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6371    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  7 10  2  0  0  0  0
  8 11  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 11 15  2  0  0  0  0
 11 12  1  0  0  0  0
  4 16  1  0  0  0  0
  1 17  1  0  0  0  0
  2 18  1  0  0  0  0
 18 19  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 24 25  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 25 30  1  0  0  0  0
 25 26  2  0  0  0  0
 22 31  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003660-3D
FYIcenter.com

 43 46  0  0  0  0  0  0  0  0999 V2000
    3.4092   -1.1145   -0.2740 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4137   -0.0731   -0.1131 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0380   -0.2949   -0.5007 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4082    0.4876    1.4878 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8351   -0.5382    2.3690 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9591   -1.2459    3.0357 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6734   -2.1635    3.7964 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0065   -2.1270    3.8317 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4573   -0.8986    2.7822 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.9956    1.3213   -1.0027 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1815    1.2484   -1.7362 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5961    2.3572   -2.4697 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7678    2.2754   -3.1155 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.8063    3.5117   -2.5392 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1018    4.6408   -3.2633 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7342    4.5756   -4.4924 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6043    3.4574   -5.3355 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3513    3.3581   -6.5057 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1604    4.4166   -6.8875 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1163    4.2885   -8.3121 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.2042    5.5834   -6.1227 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5010    5.6992   -4.9009 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6182    6.9553   -4.1022 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5434    7.4790   -3.3599 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6844    8.6216   -2.5626 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8982    9.2970   -2.5195 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9647    8.8379   -3.2827 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8258    7.6812   -4.0581 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6418    3.5865   -1.7657 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2442    2.4890   -0.9989 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1340    2.5923   -0.2557 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.4248    0.6700    1.7000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1568   -2.9188    4.3764 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7841    0.3450   -1.7646 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9589    2.6247   -5.0715 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3055    2.4503   -7.1003 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8068    6.4117   -6.4892 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5669    7.0008   -3.3849 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8426    8.9788   -1.9747 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0122   10.1796   -1.8961 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9132    9.3690   -3.2688 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6952    7.3475   -4.6206 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0394    4.4880   -1.7592 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  2 10  1  0  0  0  0
  4  5  1  0  0  0  0
  4 32  1  0  0  0  0
  5  6  2  0  0  0  0
  5  9  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 33  1  0  0  0  0
  8  9  1  0  0  0  0
 10 11  1  0  0  0  0
 10 30  2  0  0  0  0
 11 12  2  0  0  0  0
 11 34  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 29  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 22  2  0  0  0  0
 17 18  2  0  0  0  0
 17 35  1  0  0  0  0
 18 19  1  0  0  0  0
 18 36  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 37  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 28  2  0  0  0  0
 24 25  2  0  0  0  0
 24 38  1  0  0  0  0
 25 26  1  0  0  0  0
 25 39  1  0  0  0  0
 26 27  2  0  0  0  0
 26 40  1  0  0  0  0
 27 28  1  0  0  0  0
 27 41  1  0  0  0  0
 28 42  1  0  0  0  0
 29 30  1  0  0  0  0
 29 43  1  0  0  0  0
 30 31  1  0  0  0  0
M  END
$$$$

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2023-07-29, 2815👍, 0💬