5075889
 OpenBabel05082101102D

 17 15  0  0  0  0  0  0  0  0999 V2000
    4.8128   -1.3763    0.0000 Mn  0  2  0  0  0  0  0  0  0  0  0  0
    3.8280   -1.5499    0.0000 S   0  5  0  0  0  0  0  0  0  0  0  0
    5.4556   -0.6102    0.0000 S   0  5  0  0  0  0  0  0  0  0  0  0
    2.1960   -1.6927    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.3953    0.7318    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.6200   -0.1102    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8128    1.1558    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9620    0.8294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8280    1.3294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9620   -1.0499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4556    0.3898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8190    1.4327    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3431    0.8655    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1063    1.8835    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3771    1.7549    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.1102    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1228    1.6927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2 10  1  0  0  0  0
  3 11  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  2  0  0  0  0
  6  8  1  0  0  0  0
  6 10  1  0  0  0  0
  6 16  1  0  0  0  0
  7  9  1  0  0  0  0
  7 11  1  0  0  0  0
  7 17  1  0  0  0  0
  8  9  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
  9 15  1  0  0  0  0
M  CHG  3   1   2   2  -1   3  -1
M  END
>  <PUBCHEM_COMPOUND_CID>
5075889

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
124

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

>  <PUBCHEM_CACTVS_HBOND_DONOR>
2

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBjAABwAABAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAFgAAAAAHAQQAAAAAADBAAQAAALAAAAEAAAAAAAAAAAAAAkAAIAIAAAAQAAAAAAQAAAAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
manganous;N-[2-(sulfidocarbothioylamino)ethyl]carbamodithioate

>  <PUBCHEM_IUPAC_CAS_NAME>
manganese(2+);N-[2-[[sulfanylidene(sulfido)methyl]amino]ethyl]carbamodithioate

>  <PUBCHEM_IUPAC_NAME_MARKUP>
manganese(2+);<I>N</I>-[2-(sulfidocarbothioylamino)ethyl]carbamodithioate

>  <PUBCHEM_IUPAC_NAME>
manganese(2+);N-[2-(sulfidocarbothioylamino)ethyl]carbamodithioate

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
manganese(2+);N-[2-(sulfanidylcarbothioylamino)ethyl]carbamodithioate

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
manganous;N-[2-(sulfidocarbothioylamino)ethyl]carbamodithioate

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C4H8N2S4.Mn/c7-3(8)5-1-2-6-4(9)10;/h1-2H2,(H2,5,7,8)(H2,6,9,10);/q;+2/p-2

>  <PUBCHEM_IUPAC_INCHIKEY>
YKSNLCVSTHTHJA-UHFFFAOYSA-L

>  <PUBCHEM_EXACT_MASS>
264.879426

>  <PUBCHEM_MOLECULAR_FORMULA>
C4H6MnN2S4

>  <PUBCHEM_MOLECULAR_WEIGHT>
265.3

>  <PUBCHEM_OPENEYE_CAN_SMILES>
C(CNC(=S)[S-])NC(=S)[S-].[Mn+2]

>  <PUBCHEM_OPENEYE_ISO_SMILES>
C(CNC(=S)[S-])NC(=S)[S-].[Mn+2]

>  <PUBCHEM_CACTVS_TPSA>
90.2

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
264.879426

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
11

>  <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>
2

>  <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

>  <PUBCHEM_NONSTANDARDBOND>
1  2  6
1  3  6

>  <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$
