Marvin  08130817232D          

 17 18  0  0  0  0            999 V2000
   -1.9687    0.3607    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3813    1.6302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5562    1.6302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6362    0.8457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3506    0.4332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3013    0.8457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8421    0.4332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5566    0.8457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8421   -0.3919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5566   -0.8044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2710    0.4332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5869    0.4332    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2710   -0.3919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9855   -0.8044    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2849    1.5601    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1276    0.8457    0.0000 S   0  0  3  0  0  0  0  0  0  0  0  0
    0.7110    1.4290    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  4  1  0  0  0  0
  6  3  2  0  0  0  0
  3  2  1  0  0  0  0
  2  4  2  0  0  0  0
  4  5  1  0  0  0  0
  6 12  1  0  0  0  0
 12 16  1  0  0  0  0
 16  7  1  0  0  0  0
  8  7  2  0  0  0  0
  7  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  2  0  0  0  0
 10 13  1  0  0  0  0
 13 11  2  0  0  0  0
 13 14  1  0  0  0  0
 16 15  2  0  0  0  0
 16 17  2  0  0  0  0
M  END
> <ID>
CHEBI:9331

> <NAME>
sulfamethizole

> <DEFINITION>
A sulfonamide consisting of a 1,3,4-thiadiazole nucleus with a methyl substituent at C-5 and a 4-aminobenzenesulfonamido group at C-2.

> <STAR>
3

> <SYNONYM>
sulphamethiozole; sulphamethazole; sulfamethylthiadiazole; Sulfamethizole

> <IUPAC_NAME>
4-amino-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide

> <INN>
sulfametizol; sulfamethizolum; sulfamethizole; sulfamethizol

> <BRAND_NAME>
Rufol

> <FORMULA>
C9H10N4O2S2

> <MASS>
270.33346

> <MONOISOTOPIC_MASS>
270.02452

> <CHARGE>
0

> <SMILES>
Cc1nnc(NS(=O)(=O)c2ccc(N)cc2)s1

> <INCHI>
InChI=1S/C9H10N4O2S2/c1-6-11-12-9(16-6)13-17(14,15)8-4-2-7(10)3-5-8/h2-5H,10H2,1H3,(H,12,13)

> <INCHIKEY>
VACCAVUAMIDAGB-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
255002

> <CAS_REGISTRY_NUMBER>
144-82-1

> <REAXYS_REGISTRY_NUMBER>
255002

> <CHEMIDPLUS>
144-82-1

> <DRUGBANK_ACCESSION>
DB00576

> <KEGG_COMPOUND_ACCESSION>
C08050

> <KEGG_DRUG_ACCESSION>
D00870

> <LINCS_ACCESSION>
LSM-5455

> <WIKIPEDIA_ACCESSION>
Sulfamethizole

> <PUBMED_CITATION>
11431418; 17180970; 20303138; 21275251

$$$$