Molecule FYI-1009411

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A

Molecule Summary:

ID: FYI-1009411
Names:
InChIKey: FYFSVTJOHGCNAS-UHFFFAOYSA-N
SMILES: CCn3cc(NCC2=CC1C=CC=NC1S2)nn3

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

Molecule ID: FYI-1009411 Edit

Molecule Structure InChIKey: FYFSVTJOHGCNAS-UHFFFAOYSA-N

Molecule Structure SMILES String: CCn3cc(NCC2=CC1C=CC=NC1S2)nn3

Download SDF Download SVG Structure in 2D SDF:

FYI-1009411
FYIcenter.com

 18 20  0  0  0  0  0  0  0  0999 V2000
   11.4305    6.7046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0383    6.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4689    5.2792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0994    4.9882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9531    3.5959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7407    2.8959    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5282    3.5959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3158    2.8959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0369    3.4653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1695    1.5036    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.2320    3.0265    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.1689    4.0668    0.0000 N   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  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  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 15 10  1  0  0  0  0
 16 15  1  0  0  0  0
 16  8  1  0  0  0  0
 17  5  1  0  0  0  0
 18 17  2  0  0  0  0
 18  3  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009411-3D
FYIcenter.com

 33 35  0  0  1  0  0  0  0  0999 V2000
    7.1920   -7.2624    1.3132 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1991   -6.1214    1.4365 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5771   -5.7886    0.1733 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9658   -4.8511   -0.7406 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9996   -4.9215   -1.7036 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8574   -4.2097   -2.8403 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9528   -3.5200   -3.5113 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6947   -4.4255   -4.5076 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2385   -5.6606   -4.8369 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1129   -6.6943   -4.1894 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.9789   -8.1340   -4.5768 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9915   -8.9391   -4.2119 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1335   -8.2866   -3.4950 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4654   -7.0365   -3.5457 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5695   -6.2636   -4.4259 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.4671   -4.4595   -4.2165 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.0764   -5.8736   -1.3635 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4477   -6.4135   -0.2083 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5975   -7.5225    2.2967 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0286   -6.9868    0.6624 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7210   -8.1571    0.8919 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6938   -5.2211    1.8152 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4014   -6.3837    2.1409 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8501   -4.2470   -0.6186 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1228   -4.5101   -3.4636 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6393   -3.0938   -2.7720 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5412   -2.6707   -4.0666 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0464   -5.8433   -5.8975 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8694   -6.6691   -3.1165 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0806   -8.5141   -5.0480 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0047  -10.0098   -4.3527 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7259   -8.9625   -2.8561 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8748   -6.4361   -5.4693 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  2  3  1  0  0  0  0
  2 22  1  0  0  0  0
  2 23  1  0  0  0  0
  3  4  1  0  0  0  0
  3 18  1  0  0  0  0
  4  5  2  0  0  0  0
  4 24  1  0  0  0  0
  5  6  1  0  0  0  0
  5 17  1  0  0  0  0
  6  7  1  0  0  0  0
  6 25  1  0  0  0  0
  7  8  1  0  0  0  0
  7 26  1  0  0  0  0
  7 27  1  0  0  0  0
  8  9  2  3  0  0  0
  8 16  1  0  0  0  0
  9 10  1  0  0  0  0
  9 28  1  0  0  0  0
 10 11  1  0  0  0  0
 10 15  1  0  0  0  0
 10 29  1  0  0  0  0
 11 12  2  0  0  0  0
 11 30  1  0  0  0  0
 12 13  1  0  0  0  0
 12 31  1  0  0  0  0
 13 14  2  0  0  0  0
 13 32  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 33  1  0  0  0  0
 17 18  2  0  0  0  0
M  END
$$$$

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2024-05-15, 954👍, 0💬