Molecule FYI-1008706

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A

Molecule Summary:

ID: FYI-1008706
Names:
InChIKey: SLPXDLCUXLIXCX-UHFFFAOYSA-N
SMILES: CS(=O)(=O)CCNc1cc(Cl)ccn1

Received at FYIcenter.com on: 2024-04-28

Molecule ID: FYI-1008706 Edit

Molecule Structure InChIKey: SLPXDLCUXLIXCX-UHFFFAOYSA-N

Molecule Structure SMILES String: CS(=O)(=O)CCNc1cc(Cl)ccn1

Download SDF Download SVG Structure in 2D SDF:

FYI-1008706
FYIcenter.com

 14 14  0  0  0  0  0  0  0  0999 V2000
    9.6995    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.1871    3.3124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7871    0.8876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    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  2  2  0  0  0  0
  5  2  1  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 10  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 14  8  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008706-3D
FYIcenter.com

 25 25  0     0  0  0  0  0  0999 V2000
    3.5022    2.6236   -0.0011 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.7165    0.3233    0.0109 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6783    1.0471    1.2701 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7269    1.0384   -1.2537 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0514   -1.0852   -0.0327 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3156   -1.7331    0.0083 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3680   -0.8170   -0.0112 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0209   -0.1190   -0.0566 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1462   -0.7333    0.0420 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3944   -0.7437   -0.0132 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7060    0.6063   -0.0171 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0496    0.9642    0.0025 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6111   -1.3469    0.0269 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0265   -0.0250    0.0250 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4515   -1.4385    0.8869 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4969   -1.4617   -0.8873 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9643    0.4911   -0.9662 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9484    0.5514    0.8086 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1681   -2.0748   -0.0329 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0363   -0.1009    0.0575 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1443   -1.3550   -0.8551 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1091   -1.3498    0.9419 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9606    1.3936   -0.0374 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3336   -2.1561    0.0440 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0840    0.2165    0.0406 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  2  0  0  0  0
  2  7  1  0  0  0  0
  2  9  1  0  0  0  0
  5  8  1  0  0  0  0
  5 10  1  0  0  0  0
  5 19  1  0  0  0  0
  6 10  2  0  0  0  0
  6 13  1  0  0  0  0
  7  8  1  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8 17  1  0  0  0  0
  8 18  1  0  0  0  0
  9 20  1  0  0  0  0
  9 21  1  0  0  0  0
  9 22  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 23  1  0  0  0  0
 12 14  1  0  0  0  0
 13 14  2  0  0  0  0
 13 24  1  0  0  0  0
 14 25  1  0  0  0  0
M  END
$$$$

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2024-04-29, 1542👍, 0💬