Molecule FYI-1016330

A

Molecule Summary:

ID: FYI-1016330
Names:
InChIKey: RPABMIWYFVPIIK-UHFFFAOYSA-N
SMILES: NS(O)(O)c1cc3c(cc1Cl)N=C(CSCc2ccccc2)NS3(=O)=O

Received at FYIcenter.com on: 2025-12-07

Molecule ID: FYI-1016330 Edit

Molecule Structure InChIKey: RPABMIWYFVPIIK-UHFFFAOYSA-N

Molecule Structure SMILES String: NS(O)(O)c1cc3c(cc1Cl)N=C(CSCc2ccccc2)NS3(=O)=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1016330
FYIcenter.com

 26 28  0  0  0  0  0  0  0  0999 V2000
   12.8244    2.6124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    1.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4244    0.1876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    5.6000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    5.6000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.0995    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3995    6.8124    0.0000 O   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  2  1  0  0  0  0
  5  2  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 10  5  1  0  0  0  0
 11 10  1  0  0  0  0
 12  8  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 22 17  1  0  0  0  0
 23 13  1  0  0  0  0
 24 23  1  0  0  0  0
 24  7  1  0  0  0  0
 25 24  2  0  0  0  0
 26 24  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016330-3D
FYIcenter.com

 42 44  0  0  0  0  0  0  0  0999 V2000
    0.9932    0.3729   -0.1689 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5765    0.0330    0.1426 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.4238    1.2151   -0.5236 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8125    0.2610    1.7030 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1411   -1.5207   -0.3824 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1482   -1.5631   -1.3441 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5754   -2.8033   -1.8408 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0344   -4.0042   -1.4043 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0406   -3.9380   -0.4208 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5928   -2.7116    0.0963 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3345   -2.7587    1.2801 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.3687   -5.2729   -1.8993 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3106   -5.4654   -2.7588 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6094   -6.8598   -3.2801 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5097   -7.3151   -4.6613 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.9387   -6.0395   -5.8954 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1640   -6.2490   -7.1732 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9012   -5.6591   -7.3380 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1541   -5.8910   -8.4938 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6599   -6.7137   -9.4979 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9162   -7.2988   -9.3507 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6654   -7.0694   -8.1944 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1151   -4.4479   -3.2770 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8174   -2.8384   -3.0593 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.2547   -2.3522   -4.2988 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0205   -2.2692   -2.4965 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6529    1.0604    0.4998 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4329   -0.4582    0.0260 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8618    1.9059   -0.9472 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3365    1.0717    1.9007 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5915   -0.6453   -1.7257 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6012   -4.8673   -0.0554 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4443   -7.5808   -2.4730 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6536   -6.9411   -3.5988 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0146   -6.0697   -6.1020 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7049   -5.0463   -5.5013 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4858   -5.0244   -6.5578 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1725   -5.4378   -8.6048 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0716   -6.9042  -10.3916 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3076   -7.9443  -10.1327 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6366   -7.5474   -8.0904 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8361   -4.6322   -3.9673 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3 29  1  0  0  0  0
  4 30  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  2  0  0  0  0
  6  7  2  0  0  0  0
  6 31  1  0  0  0  0
  7  8  1  0  0  0  0
  7 24  1  0  0  0  0
  8  9  2  0  0  0  0
  8 12  1  0  0  0  0
  9 10  1  0  0  0  0
  9 32  1  0  0  0  0
 10 11  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 23  1  0  0  0  0
 14 15  1  0  0  0  0
 14 33  1  0  0  0  0
 14 34  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 35  1  0  0  0  0
 16 36  1  0  0  0  0
 17 18  1  0  0  0  0
 17 22  2  0  0  0  0
 18 19  2  0  0  0  0
 18 37  1  0  0  0  0
 19 20  1  0  0  0  0
 19 38  1  0  0  0  0
 20 21  2  0  0  0  0
 20 39  1  0  0  0  0
 21 22  1  0  0  0  0
 21 40  1  0  0  0  0
 22 41  1  0  0  0  0
 23 24  1  0  0  0  0
 23 42  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  2  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-12-09, 881👍, 0💬