Molecule FYI-1005812

A

Molecule Summary:

ID: FYI-1005812
Names:
InChIKey: QLCOSFPUSUUCCX-UHFFFAOYSA-N
SMILES: Clc3ccc(SCc2csc(c1ccc(Cl)cc1)n2)cc3

Received at FYIcenter.com on: 2023-11-16

Molecule ID: FYI-1005812 Edit

Molecule Structure InChIKey: QLCOSFPUSUUCCX-UHFFFAOYSA-N

Molecule Structure SMILES String: Clc3ccc(SCc2csc(c1ccc(Cl)cc1)n2)cc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1005812
FYIcenter.com

 21 23  0  0  0  0  0  0  0  0999 V2000
   11.3217    9.5993    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.1091    8.8993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8967    9.5993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6843    8.8993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6843    7.4993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4719    6.7993    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.2594    7.4993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0470    6.7993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7681    7.3686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8312    6.3283    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5312    5.1159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9618    3.8368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5695    3.6905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    1.2789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2535    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.2152    1.4253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7847    2.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9007    5.4070    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8967    6.7993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1091    7.4993    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  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  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 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 15  1  0  0  0  0
 18 17  2  0  0  0  0
 18 12  1  0  0  0  0
 19 11  2  0  0  0  0
 19  8  1  0  0  0  0
 20  5  1  0  0  0  0
 21 20  2  0  0  0  0
 21  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005812-3D
FYIcenter.com

 32 34  0     0  0  0  0  0  0999 V2000
    5.5863   -1.8282    0.1402 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.1811   -4.3184   -0.2115 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7636    3.0563   -0.8970 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8534    1.3777   -0.0937 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4091    1.3300    0.6287 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3118    2.3437    0.3738 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6580    2.2509    0.9729 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8989    0.7687    0.0410 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7198    1.5990    0.0095 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8584    3.3657   -0.4337 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7948   -0.5771    0.3921 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1431    1.3118   -0.2795 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1041   -0.2198   -0.1268 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9350   -1.3799    0.4228 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2834    0.5089   -0.2489 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9079   -0.9420    1.0606 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6929   -0.7915   -1.3410 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1793   -0.8371    0.1023 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3153   -2.2044    1.0346 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1005   -2.0541   -1.3672 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9116   -2.7606   -0.1793 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6117    1.7710    1.9560 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0574    3.2568    1.1461 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3814    4.2518   -0.7647 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8363   -1.0235    0.6438 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2974    2.3558   -0.5345 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8386   -2.4272    0.6976 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2477    0.9460   -0.4952 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2230   -0.5378    2.0198 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8292   -0.2572   -2.2786 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1760   -2.7444    1.9676 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7899   -2.4746   -2.3202 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  2 21  1  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  4  7  1  0  0  0  0
  4 13  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  2  0  0  0  0
  6  7  1  0  0  0  0
  6 10  2  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8  9  1  0  0  0  0
  8 11  2  0  0  0  0
  8 12  1  0  0  0  0
 10 24  1  0  0  0  0
 11 14  1  0  0  0  0
 11 25  1  0  0  0  0
 12 15  2  0  0  0  0
 12 26  1  0  0  0  0
 13 16  2  0  0  0  0
 13 17  1  0  0  0  0
 14 18  2  0  0  0  0
 14 27  1  0  0  0  0
 15 18  1  0  0  0  0
 15 28  1  0  0  0  0
 16 19  1  0  0  0  0
 16 29  1  0  0  0  0
 17 20  2  0  0  0  0
 17 30  1  0  0  0  0
 19 21  2  0  0  0  0
 19 31  1  0  0  0  0
 20 21  1  0  0  0  0
 20 32  1  0  0  0  0
M  END
$$$$

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2023-11-23, 1728👍, 0💬