14 15  0  0  0  0  0  0  0  0999 V2000
   29.1900  -17.4300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.3800  -16.7300    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.0700  -16.5900    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   26.9500  -17.4300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.4400  -18.7600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.7700  -18.7600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   25.7600  -16.7300    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   24.4300  -17.5700    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   25.7600  -15.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.7800  -16.7300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.2000  -15.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.0800  -14.5600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.9600  -15.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.5600  -14.9800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  1  3  1  0     0  0
  3  4  1  0     0  0
  4  5  2  0     0  0
  5  6  1  0     0  0
  1  6  2  0     0  0
  4  7  1  0     0  0
  7  8  1  0     0  0
  7  9  2  0     0  0
  2 10  1  0     0  0
 10 11  1  0     0  0
 11 12  1  0     0  0
 12 13  1  0     0  0
  2 13  1  0     0  0
 13 14  2  0     0  0
M  CHG  2   7   1   8  -1
M  END
> <ID>
CHEBI:82349

> <NAME>
Niridazole

> <STAR>
2

> <SYNONYM>
nitrothiazole; nitrothiazol; nitrothiamidazole; nitrothiamidazol

> <FORMULA>
C6H6N4O3S

> <MASS>
214.20200

> <MONOISOTOPIC_MASS>
214.01606

> <CHARGE>
0

> <SMILES>
[O-][N+](=O)c1cnc(s1)N1CCNC1=O

> <INCHI>
InChI=1S/C6H6N4O3S/c11-5-7-1-2-9(5)6-8-3-4(14-6)10(12)13/h3H,1-2H2,(H,7,11)

> <INCHIKEY>
RDXLYGJSWZYTFJ-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
61-57-4

> <KEGG_COMPOUND_ACCESSION>
C19268

> <KEGG_DRUG_ACCESSION>
D05170

> <LINCS_ACCESSION>
LSM-3174

$$$$