Molecule FYI-1004390

Home > Molecule

A

Molecule Summary:

ID: FYI-1004390
Names:
InChIKey: ZMTFAUKEEHGXRP-UHFFFAOYSA-N
SMILES: Cc2nc(c1nc(C)c(Cl)c(O)n1)cs2

Received at FYIcenter.com on: 2023-09-04

Molecule ID: FYI-1004390 Edit

Molecule Structure InChIKey: ZMTFAUKEEHGXRP-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc2nc(c1nc(C)c(Cl)c(O)n1)cs2

Download SDF Download SVG Structure in 2D SDF:

FYI-1004390
FYIcenter.com

 15 16  0  0  0  0  0  0  0  0999 V2000
    8.9975    3.1436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7851    2.4436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5061    3.0130    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5693    1.9726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2693    0.7601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6387    1.0512    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.1770    2.1190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6075    3.3979    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2152    3.5443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6458    4.8232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3923    2.4116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.5580    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.9617    1.1326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1389    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3540    0.9864    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  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  6  2  1  0  0  0  0
  7  4  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11  9  2  0  0  0  0
 12 11  1  0  0  0  0
 13 11  1  0  0  0  0
 14 13  1  0  0  0  0
 15 13  2  0  0  0  0
 15  7  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004390-3D
FYIcenter.com

 23 24  0     0  0  0  0  0  0999 V2000
   -4.4746   -0.2135    0.0069 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.8295    1.2576    0.0007 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8280    2.2112   -0.0031 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5924   -1.0760   -0.0038 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7381    1.2737   -0.0018 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2768   -0.8090    0.0006 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0247    0.1797   -0.0008 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9603   -1.2453   -0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4641    0.3149    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7535   -0.1593    0.0031 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4368   -2.6709   -0.0037 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1358    1.5265    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5364   -0.4333    0.0010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1213    1.2064   -0.0008 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6871   -1.3627    0.0017 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0192   -1.9134   -0.0058 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0608   -3.1947    0.8820 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0624   -3.1902   -0.8927 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5251   -2.7694   -0.0029 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7322    2.5294   -0.0004 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3085   -1.2185    0.8913 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3414   -2.4017    0.0018 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3090   -1.2189   -0.8877 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  2 12  1  0  0  0  0
  2 13  1  0  0  0  0
  3 14  2  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4 16  1  0  0  0  0
  5  7  2  0  0  0  0
  5 14  1  0  0  0  0
  6  9  1  0  0  0  0
  6 13  2  0  0  0  0
  7  9  1  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
  9 12  2  0  0  0  0
 10 14  1  0  0  0  0
 11 17  1  0  0  0  0
 11 18  1  0  0  0  0
 11 19  1  0  0  0  0
 12 20  1  0  0  0  0
 13 15  1  0  0  0  0
 15 21  1  0  0  0  0
 15 22  1  0  0  0  0
 15 23  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-09-16, 1786👍, 0💬