Molecule Editor

Molecule ID: FYI-1013302 Edit

Molecule Structure InChIKey: RMROEMOKWAFGCP-UHFFFAOYSA-N

Molecule Structure SMILES String: CNC1SCCN1Cc2cccnc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1013302
FYIcenter.com

 14 15  0  0  0  0  0  0  0  0999 V2000
    4.6406    6.4373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4281    7.1373    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    6.4373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368    7.0067    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.9663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    4.7538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0694    5.0450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1098    4.1082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8188    2.7388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8592    1.8020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5680    0.4326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2365    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1962    0.9368    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4873    2.3062    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  6  1  0  0  0  0
  7  3  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  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
 14  9  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013302-3D
FYIcenter.com

 29 30  0  0  1  0  0  0  0  0999 V2000
    1.9312    1.0875    1.1758 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4298    0.2246    0.1212 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0911   -0.9684    0.6091 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.5816   -1.9438   -0.8319 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.2078   -1.1761   -0.9277 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3670   -0.3464    0.3465 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3046   -0.6074    1.3370 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6637   -1.6715    2.2961 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8424   -1.3081    3.1671 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8372   -0.1689    3.9771 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9701    0.1532    4.7222 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0686   -0.6847    4.6425 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1034   -1.8076    3.8892 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9921   -2.0920    3.1741 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3939    1.9263    0.7204 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7384    1.5091    1.7828 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2261    0.5605    1.8252 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0827    0.7335   -0.4616 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3842   -1.5510    1.2110 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2470   -0.5296   -1.8114 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9788   -1.9441   -1.0129 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3172    0.7174    0.0825 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3799   -0.4706    0.7494 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8581   -2.6243    1.7863 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8208   -1.8531    2.9754 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9649    0.4777    4.0110 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9971    1.0399    5.3443 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9799   -0.4700    5.1919 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0658   -2.9967    2.5731 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  2  3  1  0  0  0  0
  2 18  1  0  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  3 19  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 20  1  0  0  0  0
  5 21  1  0  0  0  0
  6  7  1  0  0  0  0
  6 22  1  0  0  0  0
  6 23  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  2  0  0  0  0
 10 11  2  0  0  0  0
 10 26  1  0  0  0  0
 11 12  1  0  0  0  0
 11 27  1  0  0  0  0
 12 13  2  0  0  0  0
 12 28  1  0  0  0  0
 13 14  1  0  0  0  0
 14 29  1  0  0  0  0
M  END
$$$$