219030
  -OEChem-04262404472D

 45 46  0     1  0  0  0  0  0999 V2000
    7.9939    0.0116    0.0000 S   0  0  3  0  0  0  0  0  0  0  0  0
    6.7210   -1.7436    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    8.4939   -0.8544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4939   -0.8544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.0116    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4103    0.8163    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4103   -0.7931    0.0000 N   0  5  0  0  0  0  0  0  0  0  0  0
    9.9939    1.7436    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9939    0.0116    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.4939    0.8776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.5116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.4884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4939    0.8776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9939    0.0116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.0116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.9884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9939    0.0116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4939    0.8776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.5116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.4884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4939   -0.8544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9939    1.7436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4939    0.8776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4939   -0.8544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.5116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2756    0.5639    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6016    1.4882    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9113    1.0897    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6029    1.4057    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.6316    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.6084    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -0.7984    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9570   -0.5444    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1839   -1.3914    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0309   -1.1644    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3039    2.2806    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4939    0.2576    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1139    0.8776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4939    1.4976    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4939   -1.4744    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1139   -0.8544    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4939   -0.2344    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    1.0485    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.2016    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -0.0253    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  9  1  0  0  0  0
  1 10  1  0  0  0  0
  4 17  1  0  0  0  0
  4 24  1  0  0  0  0
  5 19  1  0  0  0  0
  5 25  1  0  0  0  0
  6  9  1  0  0  0  0
  6 11  1  0  0  0  0
  6 29  1  0  0  0  0
  7  9  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  2  0  0  0  0
  8 22  1  0  0  0  0
  9 26  1  0  0  0  0
 10 13  1  0  0  0  0
 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
 11 12  2  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 13 14  1  0  0  0  0
 14 17  2  0  0  0  0
 14 21  1  0  0  0  0
 15 19  2  0  0  0  0
 15 30  1  0  0  0  0
 16 20  2  0  0  0  0
 16 31  1  0  0  0  0
 17 18  1  0  0  0  0
 18 22  2  0  0  0  0
 18 23  1  0  0  0  0
 19 20  1  0  0  0  0
 20 32  1  0  0  0  0
 21 33  1  0  0  0  0
 21 34  1  0  0  0  0
 21 35  1  0  0  0  0
 22 36  1  0  0  0  0
 23 37  1  0  0  0  0
 23 38  1  0  0  0  0
 23 39  1  0  0  0  0
 24 40  1  0  0  0  0
 24 41  1  0  0  0  0
 24 42  1  0  0  0  0
 25 43  1  0  0  0  0
 25 44  1  0  0  0  0
 25 45  1  0  0  0  0
M  CHG  2   2   1   7  -1
M  END
> <PUBCHEM_COMPOUND_CID>
219030

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
453

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MCBAAAAAAAAAAAAAAAAAAWAAAAA8QAAAAAAAAFgBwAAAHgQQAAAADAzF3ga/xpLIFAqgAzRnREDKiCBxIjAI2KA+fJiMZmLksZuUMChu0BvI6CewUAMOAEAAAgAAACAAgAAEAAAAQAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
sodium;6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridyl)methylsulfinyl]-1,2-dihydrobenzimidazol-3-ide

> <PUBCHEM_IUPAC_CAS_NAME>
sodium;6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1,2-dihydrobenzimidazol-3-ide

> <PUBCHEM_IUPAC_NAME_MARKUP>
sodium;6-methoxy-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfinyl]-1,2-dihydrobenzimidazol-3-ide

> <PUBCHEM_IUPAC_NAME>
sodium;6-methoxy-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfinyl]-1,2-dihydrobenzimidazol-3-ide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
sodium;6-methoxy-2-[(4-methoxy-3,5-dimethyl-pyridin-2-yl)methylsulfinyl]-1,2-dihydrobenzimidazol-3-ide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
sodium;6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridyl)methylsulfinyl]-1,2-dihydrobenzimidazol-3-ide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C17H20N3O3S.Na/c1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17;/h5-8,17,20H,9H2,1-4H3;/q-1;+1

> <PUBCHEM_IUPAC_INCHIKEY>
YOIWYODMTXDBRG-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
369.11230696

> <PUBCHEM_MOLECULAR_FORMULA>
C17H20N3NaO3S

> <PUBCHEM_MOLECULAR_WEIGHT>
369.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CN=C(C(=C1OC)C)CS(=O)C2NC3=C([N-]2)C=CC(=C3)OC.[Na+]

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=CN=C(C(=C1OC)C)CS(=O)C2NC3=C([N-]2)C=CC(=C3)OC.[Na+]

> <PUBCHEM_CACTVS_TPSA>
80.7

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
369.11230696

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
25

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
2

> <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_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
1  10  3
11  12  8
11  15  8
12  16  8
13  14  8
14  17  8
15  19  8
16  20  8
17  18  8
18  22  8
19  20  8
9  6  3
8  13  8
8  22  8

$$$$