Molecule FYI-1008942

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A

Molecule Summary:

ID: FYI-1008942
Names:
InChIKey: GIRPOGVYTBVPIZ-UHFFFAOYSA-N
SMILES: Cc1csc(CC(N)=S)n1

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

Molecule ID: FYI-1008942 Edit

Molecule Structure InChIKey: GIRPOGVYTBVPIZ-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc1csc(CC(N)=S)n1

Download SDF Download SVG Structure in 2D SDF:

FYI-1008942
FYIcenter.com

 10 10  0  0  0  0  0  0  0  0999 V2000
    7.2455    1.0247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    1.1710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1531    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7837    2.0923    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    0.0000    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
    1.2124    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.9163    0.1306    0.0000 N   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  1  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  7  2  0  0  0  0
 10  5  2  0  0  0  0
 10  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008942-3D
FYIcenter.com

 18 18  0     0  0  0  0  0  0999 V2000
    0.6468   -1.7803   -0.0744 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6283    1.7297   -0.4512 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.9062    0.7356    0.4598 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8587   -0.9161   -0.6524 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2972   -0.2015    1.0787 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1010   -0.2806    0.5160 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0894    0.3047   -0.1081 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1377   -1.0271   -0.4630 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2767    0.1516   -0.0209 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1799    1.2840   -0.2844 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5843   -1.1523    1.5443 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3259    0.5603    1.8673 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9482   -1.5795   -0.9172 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0657    0.8274   -0.7373 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8532    2.1042   -0.9315 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4729    1.7050    0.6826 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6462   -1.8764   -0.4018 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5271   -0.7790   -1.4033 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  8  1  0  0  0  0
  2  9  2  0  0  0  0
  3  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  9  1  0  0  0  0
  4 17  1  0  0  0  0
  4 18  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  7  8  2  0  0  0  0
  7 10  1  0  0  0  0
  8 13  1  0  0  0  0
 10 14  1  0  0  0  0
 10 15  1  0  0  0  0
 10 16  1  0  0  0  0
M  END
$$$$

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2024-05-29, 1286👍, 0💬