Molecule FYI-1003677

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A

Molecule Summary:

ID: FYI-1003677
Names:
InChIKey: IPUOFBBEBVXCRE-UHFFFAOYSA-N
SMILES: CCSC(CN)C(CC)CC

Received at FYIcenter.com on: 2023-07-17

Molecule ID: FYI-1003677 Edit

Molecule Structure InChIKey: IPUOFBBEBVXCRE-UHFFFAOYSA-N

Molecule Structure SMILES String: CCSC(CN)C(CC)CC

Download SDF Download SVG Structure in 2D SDF:

FYI-1003677
FYIcenter.com

 11 10  0  0  0  0  0  0  0  0999 V2000
    7.2747    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 S   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
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 N   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
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    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
  2  1  1  0  0  0  0
  3  2  1  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  4  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  7  1  0  0  0  0
 11 10  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003677-3D
FYIcenter.com

 32 31  0     1  0  0  0  0  0999 V2000
   -1.3881    0.3333    0.9186 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4245   -2.6521   -1.1871 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2201    0.1151   -0.1573 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2402   -0.4267   -0.2989 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3302    1.6329   -0.4580 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8749   -0.2241    1.2081 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3840   -1.9577   -0.1882 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    2.0301   -1.8399 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3254    0.2227    1.3394 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9019    0.1814   -0.0511 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0839    0.7451    0.7143 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8246   -0.3876   -0.9254 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5957   -0.1472   -1.2970 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8144    2.2239    0.3068 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3830    1.9340   -0.4212 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8513   -1.3088    1.3594 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3065    0.2229    2.0311 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4224   -2.2691   -0.3403 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0898   -2.3112    0.8060 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2688    1.4046   -2.6195 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2659    1.9551   -1.9085 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0890    3.0715   -2.0491 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4085    1.3101    1.4225 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9216   -0.1136    0.4856 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7653   -0.2040    2.2470 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1040   -0.8669   -0.2851 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7881    0.7299   -0.9916 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1327   -2.3676   -2.1212 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2515   -3.6545   -1.1252 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2500    0.2055    1.6530 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9462    1.8076    0.9427 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9954    0.6523    0.1143 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1 10  1  0  0  0  0
  2  7  1  0  0  0  0
  2 28  1  0  0  0  0
  2 29  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3 12  1  0  0  0  0
  4  7  1  0  0  0  0
  4 13  1  0  0  0  0
  5  8  1  0  0  0  0
  5 14  1  0  0  0  0
  5 15  1  0  0  0  0
  6  9  1  0  0  0  0
  6 16  1  0  0  0  0
  6 17  1  0  0  0  0
  7 18  1  0  0  0  0
  7 19  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
  9 23  1  0  0  0  0
  9 24  1  0  0  0  0
  9 25  1  0  0  0  0
 10 11  1  0  0  0  0
 10 26  1  0  0  0  0
 10 27  1  0  0  0  0
 11 30  1  0  0  0  0
 11 31  1  0  0  0  0
 11 32  1  0  0  0  0
M  END
$$$$

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2023-07-29, 2108👍, 0💬