Molecule Editor

Molecule ID: FYI-1004618 Edit

Molecule Structure InChIKey: PHGCRFDNMAVCJM-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc4n[nH]c(SCc3ccc(NC(=O)c2ccc(c1ccc(Cl)c(Cl)c1)o2)cc3)n4

Download SDF Download SVG Structure in 2D SDF:

FYI-1004618
FYIcenter.com

 30 33  0  0  0  0  0  0  0  0999 V2000
   20.1443    1.1326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5769    2.4641    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.4443    3.2870    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.3117    2.4641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7443    1.1326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.9672    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9802    2.8967    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   15.7156    2.2961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3438    2.5759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9003    3.9038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5285    4.1836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6003    3.1355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0439    1.8077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4156    1.5279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2286    3.4154    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0042    2.7364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0641    1.3377    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7830    3.4209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6189    4.8113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2459    5.0849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5614    3.8636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5114    2.8352    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1711    3.6996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3338    4.8216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9435    4.6576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3904    3.3714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2276    2.2494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6180    2.4135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6745    0.9633    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.2074    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  1  1  0  0  0  0
  1  6  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 18 22  1  0  0  0  0
 18 19  2  0  0  0  0
 21 23  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 23 28  1  0  0  0  0
 23 24  2  0  0  0  0
 27 29  1  0  0  0  0
 26 30  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004618-3D
FYIcenter.com

 46 49  0     0  0  0  0  0  0999 V2000
    5.0109   -3.8867   -0.1098 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.2328   -3.6094    0.0149 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -5.6177   -0.2882    1.1647 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.4254    1.0135    0.0140 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7556    3.3516   -0.0310 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7415    1.0268   -0.0845 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7143   -0.6991   -0.5789 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4557   -1.0567    0.8606 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3087   -0.8339    1.5197 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3716    0.1861   -0.3655 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6443    0.7435   -0.1799 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7646    1.2372    0.0715 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8263    2.2328    0.0372 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.8297   -0.1108   -0.4650 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9323    1.5088   -0.3075 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4472   -0.8579   -0.3307 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5687    1.7875   -0.2146 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0270    2.5861    0.1315 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4048    2.2770   -0.0136 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7682    3.2326    0.1091 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0015   -1.2075   -0.0115 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9796    0.1742    0.1119 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.2785   -0.6224    0.6571 C   0  0  0  0  0  0  0  0  0  0  0  0
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  -10.0033   -1.1454   -1.5154 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -9.5005   -1.0400   -2.4819 H   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$