3582164
  -OEChem-06181319322D

 21 16  0     0  0  0  0  0  0999 V2000
    5.0000    0.0000    0.0000 Cu  0  2  0  0  0  0  0  0  0  0  0  0
    5.0000    1.0000    0.0000 S   0  3  0  0  0  0  0  0  0  0  0  0
    5.0000   -1.0000    0.0000 S   0  3  0  0  0  0  0  0  0  0  0  0
    4.0000    0.0000    0.0000 S   0  3  0  0  0  0  0  0  0  0  0  0
    6.0000    0.0000    0.0000 S   0  3  0  0  0  0  0  0  0  0  0  0
    5.0000    3.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000   -3.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4631    1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4631    0.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5369   -1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5369   -0.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6900   -0.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3100   -0.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3100    0.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6900    0.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2 10  1  0  0  0  0
  2 14  1  0  0  0  0
  2 15  1  0  0  0  0
  3 11  1  0  0  0  0
  3 16  1  0  0  0  0
  3 17  1  0  0  0  0
  4 12  1  0  0  0  0
  4 18  1  0  0  0  0
  4 19  1  0  0  0  0
  5 13  1  0  0  0  0
  5 20  1  0  0  0  0
  5 21  1  0  0  0  0
  6 10  3  0  0  0  0
  7 11  3  0  0  0  0
  8 12  3  0  0  0  0
  9 13  3  0  0  0  0
M  CHG  5   1   2   2   1   3   1   4   1   5   1
M  END
> <PUBCHEM_COMPOUND_CID>
3582164

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
186

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
4

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBjgABwAAAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAABAQAAAAAAAAAAAAAAAAAAAQQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
copper;cyanosulfonium

> <PUBCHEM_IUPAC_CAS_NAME>
copper;cyanosulfonium

> <PUBCHEM_IUPAC_NAME>
copper;cyanosulfanium

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
copper;cyanosulfanium

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
cupric;cyanosulfonium

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/4CHNS.Cu/c4*2-1-3;/h4*3H;/q;;;;+2/p+4

> <PUBCHEM_IUPAC_INCHIKEY>
ISMDBYOJPKIUCV-UHFFFAOYSA-R

> <PUBCHEM_EXACT_MASS>
302.892778

> <PUBCHEM_MOLECULAR_FORMULA>
C4H8CuN4S4+6

> <PUBCHEM_MOLECULAR_WEIGHT>
303.93912

> <PUBCHEM_OPENEYE_CAN_SMILES>
C(#N)[SH2+].C(#N)[SH2+].C(#N)[SH2+].C(#N)[SH2+].[Cu+2]

> <PUBCHEM_OPENEYE_ISO_SMILES>
C(#N)[SH2+].C(#N)[SH2+].C(#N)[SH2+].C(#N)[SH2+].[Cu+2]

> <PUBCHEM_CACTVS_TPSA>
99.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
302.892778

> <PUBCHEM_TOTAL_CHARGE>
6

> <PUBCHEM_HEAVY_ATOM_COUNT>
13

> <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>
5

> <PUBCHEM_CACTVS_TAUTO_COUNT>
1

> <PUBCHEM_NONSTANDARDBOND>
1  2  6
1  3  6
1  4  6
1  5  6

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$