Molecule FYI-1001168

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A

Molecule Summary:

ID: FYI-1001168
SMILES: Oc1ccc(cc1)C1=NNC(=S)N1N

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

Molecule ID: FYI-1001168 Edit

Molecule Structure SMILES String: Oc1ccc(cc1)C1=NNC(=S)N1N

Download SDF Download SVG Structure in 2D SDF:

FYI-1001168
FYIcenter.com

 14 15  0  0  0  0  0  0  0  0999 V2000
    7.0655    5.7624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    5.0624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6407    5.7624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    5.0624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    3.6624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6407    2.9624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    3.6624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2158    2.9624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9369    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    1.2790    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
    2.0695    1.5701    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1098    0.6332    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  5  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-1001168-3D
FYIcenter.com

 22 23  0  0  0  0  0  0  0  0999 V2000
    2.2579   -0.0346    0.0038 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8953   -0.0353    0.0112 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1686   -1.2221    0.0094 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2283   -1.1713    0.0023 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8896    0.0649   -0.0083 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1417    1.2469    0.0313 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2524    1.1953    0.0257 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3667    0.0795   -0.0406 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1091   -0.8527    0.5015 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4017   -0.4686    0.2376 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4213    0.7071   -0.5049 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7875    1.4576   -1.0680 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0963    1.0564   -0.6713 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6291    2.1062   -1.4703 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5710   -0.9526    0.0220 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6636   -2.1869    0.0126 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7982   -2.0989    0.0025 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6268    2.2185    0.0809 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8328    2.1134    0.0393 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2003   -1.0117    0.5414 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4225    2.4437   -2.0234 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9729    1.7168   -2.1488 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  8  1  0  0  0  0
  6  7  1  0  0  0  0
  6 18  1  0  0  0  0
  7 19  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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2022-04-21, 1440👍, 0💬