Molecule FYI-1016436

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A

Molecule Summary:

ID: FYI-1016436
Names:
InChIKey: IZJDOKYDEWTZSO-UHFFFAOYSA-N
SMILES: S=C=NCCc1ccccc1

Received at FYIcenter.com on: 2026-01-05

Molecule ID: FYI-1016436 Edit

Molecule Structure InChIKey: IZJDOKYDEWTZSO-UHFFFAOYSA-N

Molecule Structure SMILES String: S=C=NCCc1ccccc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1016436
FYIcenter.com

 11 11  0  0  0  0  0  0  0  0999 V2000
    8.4871    1.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  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  2  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  2  0  0  0  0
 11  6  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016436-3D
FYIcenter.com

 20 20  0     0  0  0  0  0  0999 V2000
   -4.3898    1.0410    0.7223 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0209    0.1353   -0.3836 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2878   -1.5773   -0.6618 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8375   -0.6672   -0.3016 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6126   -1.2134    0.0185 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0821    0.4751   -1.0640 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6453   -0.9579    0.7980 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1343    1.3266   -0.7271 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6975   -0.1063    1.1349 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9419    1.0359    0.3723 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0274    0.5083    0.0921 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4238   -1.5750   -1.7515 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0240   -2.6108   -0.4026 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3717   -1.9497   -0.2774 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4931   -1.2715    1.1093 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4629    0.7130   -1.9249 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4639   -1.8434    1.4013 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3250    2.2156   -1.3211 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3261   -0.3321    1.9912 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7611    1.6989    0.6347 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0  0  0  0
  2  5  1  0  0  0  0
  2 11  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 12  1  0  0  0  0
  3 13  1  0  0  0  0
  4  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5 14  1  0  0  0  0
  5 15  1  0  0  0  0
  6  8  1  0  0  0  0
  6 16  1  0  0  0  0
  7  9  2  0  0  0  0
  7 17  1  0  0  0  0
  8 10  2  0  0  0  0
  8 18  1  0  0  0  0
  9 10  1  0  0  0  0
  9 19  1  0  0  0  0
 10 20  1  0  0  0  0
M  END
$$$$

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2026-02-02, 274👍, 0💬