65475233
  -OEChem-04262404062D

 28 31  0     0  0  0  0  0  0999 V2000
    2.8660   -0.3824    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.0640    3.6924    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.9939   -1.3824    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.6176    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4103   -0.5777    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4103   -2.1872    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4691    2.7846    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.3824    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0752    3.5894    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.3824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.1176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.8824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.1176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.8824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.8824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.3824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.6176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.6176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.8824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.1176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.1176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.9276    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -0.5724    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -2.1924    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    2.4276    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.8076    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611   -3.6924    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -3.6924    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  2  7  1  0  0  0  0
  2  9  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4 10  1  0  0  0  0
  4 11  1  0  0  0  0
  4 22  1  0  0  0  0
  5 12  2  0  0  0  0
  6 14  2  0  0  0  0
  7 13  2  0  0  0  0
  8 16  1  0  0  0  0
  8 27  1  0  0  0  0
  8 28  1  0  0  0  0
  9 17  2  0  0  0  0
 10 12  1  0  0  0  0
 10 15  2  0  0  0  0
 11 13  1  0  0  0  0
 11 18  2  0  0  0  0
 12 14  1  0  0  0  0
 13 17  1  0  0  0  0
 14 16  1  0  0  0  0
 15 19  1  0  0  0  0
 15 23  1  0  0  0  0
 16 19  2  0  0  0  0
 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
 19 24  1  0  0  0  0
 20 21  2  0  0  0  0
 20 25  1  0  0  0  0
 21 26  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
65475233

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
393

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
8

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBzoABEAAAAAAAAAAAAAAAAAWLAAAAwYAAAAAAAAFgB/gAAHAIUQAAACAqBFiAwwLLQAAChASRiQgCCAAQhFwAomCAwdpoIYOLB0tHUJAhgkIDIyAcQAAAAAADAAAYAADAAAYAADAAAYAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N4-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2,1,3-benzoxadiazole-4,7-diamine

> <PUBCHEM_IUPAC_CAS_NAME>
N4-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2,1,3-benzoxadiazole-4,7-diamine

> <PUBCHEM_IUPAC_NAME_MARKUP>
4-<I>N</I>-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2,1,3-benzoxadiazole-4,7-diamine

> <PUBCHEM_IUPAC_NAME>
4-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2,1,3-benzoxadiazole-4,7-diamine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N4-(5-chloranyl-2,1,3-benzothiadiazol-4-yl)-2,1,3-benzoxadiazole-4,7-diamine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(7-aminobenzofurazan-4-yl)-(5-chloropiazthiol-4-yl)amine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C12H7ClN6OS/c13-5-1-3-8-12(19-21-18-8)9(5)15-7-4-2-6(14)10-11(7)17-20-16-10/h1-4,15H,14H2

> <PUBCHEM_IUPAC_INCHIKEY>
HWCCNRHGIGYPAU-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.5

> <PUBCHEM_EXACT_MASS>
318.0090577

> <PUBCHEM_MOLECULAR_FORMULA>
C12H7ClN6OS

> <PUBCHEM_MOLECULAR_WEIGHT>
318.74

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC2=NSN=C2C(=C1Cl)NC3=CC=C(C4=NON=C34)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC2=NSN=C2C(=C1Cl)NC3=CC=C(C4=NON=C34)N

> <PUBCHEM_CACTVS_TPSA>
131

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
318.0090577

> <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  18  8
12  14  8
13  17  8
14  16  8
15  19  8
16  19  8
17  20  8
18  21  8
2  7  8
2  9  8
20  21  8
3  5  8
3  6  8
5  12  8
6  14  8
7  13  8
9  17  8

$$$$