Molecule FYI-1009340

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A

Molecule Summary:

ID: FYI-1009340
Names:
InChIKey: JHJCTDRHIVSVRT-UHFFFAOYSA-N
SMILES: NNC(=O)c2cc(c1cccs1)n[nH]2

Received at FYIcenter.com on: 2024-05-09

Molecule ID: FYI-1009340 Edit

Molecule Structure InChIKey: JHJCTDRHIVSVRT-UHFFFAOYSA-N

Molecule Structure SMILES String: NNC(=O)c2cc(c1cccs1)n[nH]2

Download SDF Download SVG Structure in 2D SDF:

FYI-1009340
FYIcenter.com

 14 15  0  0  0  0  0  0  0  0999 V2000
    9.4613    2.3834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2489    1.6834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0363    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0363    3.7834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8239    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5450    2.2528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6081    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3081    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6776    0.2911    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2158    1.3587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5158    2.5711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1464    2.2801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2791    0.3184    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  3  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
  9  5  1  0  0  0  0
 10  7  1  0  0  0  0
 11 10  2  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
 14 10  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009340-3D
FYIcenter.com

 22 23  0     0  0  0  0  0  0999 V2000
   -3.1992    1.3113    0.0058 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.1167   -1.6611    0.0095 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1394    1.3739   -0.0003 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2037    1.3254   -0.0020 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8174    0.5374   -0.0075 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1511    0.1737    0.0147 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7352    0.1469   -0.0026 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1364   -0.0351   -0.0008 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2893   -0.7679   -0.0065 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4598    0.0144   -0.0057 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8277   -1.2307   -0.0027 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8184   -0.4476   -0.0090 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2394   -1.0377    0.0010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5790    0.2973    0.0059 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2074   -1.8460   -0.0092 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5838    2.2839    0.0027 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3557   -2.2056   -0.0066 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9687   -1.8373    0.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5714    0.7256    0.0095 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5947    1.5282   -0.0137 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5894    0.6116   -0.7945 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5642    0.6184    0.8334 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 14  1  0  0  0  0
  2 12  2  0  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  3 16  1  0  0  0  0
  4 10  2  0  0  0  0
  5  6  1  0  0  0  0
  5 12  1  0  0  0  0
  5 20  1  0  0  0  0
  6 21  1  0  0  0  0
  6 22  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  8 11  2  0  0  0  0
  9 10  1  0  0  0  0
  9 15  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 17  1  0  0  0  0
 13 14  2  0  0  0  0
 13 18  1  0  0  0  0
 14 19  1  0  0  0  0
M  END
$$$$

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2024-05-15, 1260👍, 0💬