-OEChem-10281115203D

  7  7  0     0  0  0  0  0  0999 V2000
    0.0021   -0.0041    0.0020 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3841    2.8197    0.0243 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.4297    1.5646   -0.0219 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2801    2.1226    0.0012 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0222    1.7825    0.0118 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2623    1.2372   -0.0129 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8264   -0.2210   -0.0166 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  7  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
588568

> <PUBCHEM_SUBSTANCE_VERSION>
3

> <PUBCHEM_EXT_DATASOURCE_NAME>
NMRShiftDB

> <PUBCHEM_EXT_DATASOURCE_REGID>
10009296

> <PUBCHEM_SUBSTANCE_SYNONYM>
141-84-4
2-thioxo-1,3-thiazolidin-4-one
4-thiazolidinone, 2-thioxo-
InChI=1/C3H3NOS2/c5-2-1-7-3(6)4-2/h1H2,(H,4,5,6
RHODANINE

> <PUBCHEM_GENERIC_REGISTRY_NAME>
141-84-4

> <PUBCHEM_XREF_EXT_ID>
10009296

> <PUBCHEM_EXT_DATASOURCE_URL>
http://www.nmrshiftdb.org

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.nmrshiftdb.org/portal/js_pane/P-Results/nmrshiftdbaction/showDetailsFromHome/molNumber/10009296

> <PUBCHEM_CID_ASSOCIATIONS>
1201546  1

> <PUBCHEM_CONFORMER_ID>
0008FB1800030001

> <PUBCHEM_COORDINATE_TYPE>
2
3
4

$$$$