84724
 Wcorina  10100417263D 1   1.00000     0.00000 
CORINA evaluation license 3.40 0067  02.08.2006
 14 14  0     0  0  0  0  0  0999 V2000
   -0.0172    1.4168    0.0098 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4424    1.6383    3.1164 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0021   -0.0041    0.0020 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1617    2.2101    0.0028 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9002    1.8797   -1.3124 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0752    2.4941    1.4464 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5941    2.7655    2.5632 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3401    2.6311    4.9443 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9297    1.8941    1.4396 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9373    2.4211    3.6338 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1992    1.2154   -1.9528 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1184    2.8153   -1.4465 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7780    2.3361    5.6777 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1840    3.0730    5.1274 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  4  2  0  0  0  0
  1  5  1  0  0  0  0
  1  9  1  0  0  0  0
  2  9  1  0  0  0  0
  2 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  2  0  0  0  0
  7 10  2  0  0  0  0
  8 10  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
84724

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
208

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBDsABgAAAAAAAAAAAAAAAAAWAAAAAAAAAAAAAAAAABgAAABAQYQAAAAAAAAAABEABAAAomAAAAIHAYAQJAAAEEAAAAAAAAAAAAAAAAAAAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
5-amino-1,3,4-thiadiazole-2-sulfonamide

> <PUBCHEM_IUPAC_CAS_NAME>
5-amino-1,3,4-thiadiazole-2-sulfonamide

> <PUBCHEM_IUPAC_NAME>
5-amino-1,3,4-thiadiazole-2-sulfonamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
5-azanyl-1,3,4-thiadiazole-2-sulfonamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
5-amino-1,3,4-thiadiazole-2-sulfonamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C2H4N4O2S2/c3-1-5-6-2(9-1)10(4,7)8/h(H2,3,5)(H2,4,7,8)

> <PUBCHEM_IUPAC_INCHIKEY>
VGMVBPQOACUDRU-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
-0.9

> <PUBCHEM_EXACT_MASS>
179.977567

> <PUBCHEM_MOLECULAR_FORMULA>
C2H4N4O2S2

> <PUBCHEM_MOLECULAR_WEIGHT>
180.20876

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1(=NN=C(S1)S(=O)(=O)N)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1(=NN=C(S1)S(=O)(=O)N)N

> <PUBCHEM_CACTVS_TPSA>
149

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
179.977567

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
10

> <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>
2

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
2  10  8
2  9  8
6  7  8
6  9  8
7  10  8

$$$$