65450526
  -OEChem-05012417302D

 27 29  0     0  0  0  0  0  0999 V2000
    2.8660   -1.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.9939   -2.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.4641    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4103   -1.1953    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4103   -2.8047    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.0000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  0  0  0  0
  3 19  1  0  0  0  0
  4  9  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 22  1  0  0  0  0
  7 12  2  0  0  0  0
  8 14  2  0  0  0  0
  9 13  1  0  0  0  0
 10 12  1  0  0  0  0
 10 15  2  0  0  0  0
 11 13  2  0  0  0  0
 11 16  1  0  0  0  0
 12 14  1  0  0  0  0
 13 19  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 16 20  2  0  0  0  0
 16 23  1  0  0  0  0
 17 18  2  0  0  0  0
 17 24  1  0  0  0  0
 18 25  1  0  0  0  0
 19 21  2  0  0  0  0
 20 21  1  0  0  0  0
 20 26  1  0  0  0  0
 21 27  1  0  0  0  0
M  CHG  2   4  -1   9   1
M  END
> <PUBCHEM_COMPOUND_CID>
65450526

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
402

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBzsQBEAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAFgB9AAAHQIUQAAACAqBFigwwLLQQAChASRiQwCCAAQhFwAomCAwdpoIYOLB09HUJAhgkIDIyAcQAAAAAABAAAYAADAAAIAADAAAYAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
5-chloro-N-(3-fluoro-2-nitro-phenyl)-2,1,3-benzothiadiazol-4-amine

> <PUBCHEM_IUPAC_CAS_NAME>
5-chloro-N-(3-fluoro-2-nitrophenyl)-2,1,3-benzothiadiazol-4-amine

> <PUBCHEM_IUPAC_NAME_MARKUP>
5-chloro-<I>N</I>-(3-fluoro-2-nitrophenyl)-2,1,3-benzothiadiazol-4-amine

> <PUBCHEM_IUPAC_NAME>
5-chloro-N-(3-fluoro-2-nitrophenyl)-2,1,3-benzothiadiazol-4-amine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
5-chloranyl-N-(3-fluoranyl-2-nitro-phenyl)-2,1,3-benzothiadiazol-4-amine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(5-chloropiazthiol-4-yl)-(3-fluoro-2-nitro-phenyl)amine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C12H6ClFN4O2S/c13-6-4-5-8-11(17-21-16-8)10(6)15-9-3-1-2-7(14)12(9)18(19)20/h1-5,15H

> <PUBCHEM_IUPAC_INCHIKEY>
MHSPIWHDMIYLSV-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.4

> <PUBCHEM_EXACT_MASS>
323.9884025

> <PUBCHEM_MOLECULAR_FORMULA>
C12H6ClFN4O2S

> <PUBCHEM_MOLECULAR_WEIGHT>
324.72

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC(=C(C(=C1)F)[N+](=O)[O-])NC2=C(C=CC3=NSN=C32)Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC(=C(C(=C1)F)[N+](=O)[O-])NC2=C(C=CC3=NSN=C32)Cl

> <PUBCHEM_CACTVS_TPSA>
112

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
323.9884025

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
21

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  12  8
10  15  8
11  13  8
11  16  8
12  14  8
13  19  8
14  17  8
15  18  8
16  20  8
17  18  8
19  21  8
2  7  8
2  8  8
20  21  8
7  12  8
8  14  8

$$$$