Molecule FYI-1001167

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A

Molecule Summary:

ID: FYI-1001167
SMILES: Oc1ccccc1C1=NNC(=S)N1N

Received at FYIcenter.com on: 2022-02-11

Molecule ID: FYI-1001167 Edit

Molecule Structure SMILES String: Oc1ccccc1C1=NNC(=S)N1N

Download SDF Download SVG Structure in 2D SDF:

FYI-1001167
FYIcenter.com

 14 15  0  0  0  0  0  0  0  0999 V2000
    4.6406    1.5624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    2.9624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8530    3.6624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8530    5.0624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    5.7624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4281    5.0624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4281    3.6624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    2.9624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368    3.5318    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4914    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    1.2789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1306    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0694    1.5701    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1098    0.6333    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  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  7  2  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  2  0  0  0  0
 13 11  1  0  0  0  0
 13  8  1  0  0  0  0
 14 13  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001167-3D
FYIcenter.com

 22 23  0  0  0  0  0  0  0  0999 V2000
    2.2692   -0.2187    0.1211 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9085   -0.0881    0.0367 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1297   -1.2500    0.0233 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2611   -1.1591    0.0060 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8748    0.0901    0.0073 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0998    1.2535    0.0080 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3040    1.1771   -0.0022 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0492    2.4545    0.0250 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6238    3.5108    0.6750 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5857    4.4684    0.4599 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5994    3.9696   -0.3494 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9408    4.8190   -0.8278 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.2383    2.6676   -0.6270 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8713    1.8420   -1.5605 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4847   -1.1564    0.2664 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5896   -2.2346    0.0358 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8653   -2.0632    0.0020 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9620    0.1621    0.0168 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5961    2.2207    0.0173 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5148    5.4037    0.8399 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8508    2.1338   -1.5968 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8971    0.9073   -1.1406 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 15  1  0  0  0  0
  2  3  1  0  0  0  0
  2  7  2  0  0  0  0
  3  4  2  0  0  0  0
  3 16  1  0  0  0  0
  4  5  1  0  0  0  0
  4 17  1  0  0  0  0
  5  6  2  0  0  0  0
  5 18  1  0  0  0  0
  6  7  1  0  0  0  0
  6 19  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 13  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 20  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 21  1  0  0  0  0
 14 22  1  0  0  0  0
M  END
$$$$

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2022-07-01, 2704👍, 0💬