70129138
  -OEChem-05042405312D

 50 54  0     0  0  0  0  0  0999 V2000
    6.9527    2.1200    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.0682    7.3700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3199   10.4046    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0682   10.3700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5381    7.3458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8302    2.4247    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8302    0.8153    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0016    0.8110    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2022    8.8700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2022    7.8700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9343    7.8700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8840    2.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8840    1.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0682    9.3700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8003    7.3700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3083    9.4046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9343    8.8700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4138    1.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3083    7.3353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4022    7.8492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4022    8.8908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0180    2.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0180    0.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4138    1.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6663    7.8700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8003    6.3700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1520    2.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1520    1.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5324    7.3700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6663    5.8700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5324    6.3700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0016    2.4290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9527    1.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4712    9.1800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0228    3.0140    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3154    6.7154    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8665    9.2028    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0180    3.2400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0180    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6663    8.4900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2634    6.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6150    2.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6150    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0693    7.6800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6663    5.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0693    6.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8100    3.0187    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7865   10.7208    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.6538    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4543    0.7556    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 32  1  0  0  0  0
  1 33  1  0  0  0  0
  2 10  1  0  0  0  0
  2 11  1  0  0  0  0
  3 16  1  0  0  0  0
  3 48  1  0  0  0  0
  4 14  2  0  0  0  0
  5 20  1  0  0  0  0
  5 49  1  0  0  0  0
  6 12  1  0  0  0  0
  6 18  1  0  0  0  0
  6 35  1  0  0  0  0
  7 13  1  0  0  0  0
  7 18  2  0  0  0  0
  8 24  1  0  0  0  0
  8 33  2  0  0  0  0
  9 10  1  0  0  0  0
  9 14  1  0  0  0  0
  9 16  2  0  0  0  0
 10 19  2  0  0  0  0
 11 15  1  0  0  0  0
 11 17  2  0  0  0  0
 12 13  1  0  0  0  0
 12 22  2  0  0  0  0
 13 23  2  0  0  0  0
 14 17  1  0  0  0  0
 15 25  2  0  0  0  0
 15 26  1  0  0  0  0
 16 21  1  0  0  0  0
 17 34  1  0  0  0  0
 18 24  1  0  0  0  0
 19 20  1  0  0  0  0
 19 36  1  0  0  0  0
 20 21  2  0  0  0  0
 21 37  1  0  0  0  0
 22 27  1  0  0  0  0
 22 38  1  0  0  0  0
 23 28  1  0  0  0  0
 23 39  1  0  0  0  0
 24 32  2  0  0  0  0
 25 29  1  0  0  0  0
 25 40  1  0  0  0  0
 26 30  2  0  0  0  0
 26 41  1  0  0  0  0
 27 28  2  0  0  0  0
 27 42  1  0  0  0  0
 28 43  1  0  0  0  0
 29 31  2  0  0  0  0
 29 44  1  0  0  0  0
 30 31  1  0  0  0  0
 30 45  1  0  0  0  0
 31 46  1  0  0  0  0
 32 47  1  0  0  0  0
 33 50  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
70129138

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
595

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7OABAAAAAAAAAAAAAAAAAAWLAAAAwYMEAAAAAAFiB/AAAHgQQCAAADAyF3wS117bJlgisA6ZzZACC+K31OrgJ2TU+fNiMb7bmvZuWeWjt8BfI+SeY7KzOIAAACAAIACBAAAAQABAAQAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
4-(1H-benzimidazol-2-yl)thiazole;5,7-dihydroxy-2-phenyl-chromen-4-one

> <PUBCHEM_IUPAC_CAS_NAME>
4-(1H-benzimidazol-2-yl)thiazole;5,7-dihydroxy-2-phenyl-1-benzopyran-4-one

> <PUBCHEM_IUPAC_NAME_MARKUP>
4-(1<I>H</I>-benzimidazol-2-yl)-1,3-thiazole;5,7-dihydroxy-2-phenylchromen-4-one

> <PUBCHEM_IUPAC_NAME>
4-(1H-benzimidazol-2-yl)-1,3-thiazole;5,7-dihydroxy-2-phenylchromen-4-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4-(1H-benzimidazol-2-yl)-1,3-thiazole;5,7-bis(oxidanyl)-2-phenyl-chromen-4-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4-(1H-benzimidazol-2-yl)thiazole;5,7-dihydroxy-2-phenyl-chromone

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H10O4.C10H7N3S/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9;1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9/h1-8,16-17H;1-6H,(H,12,13)

> <PUBCHEM_IUPAC_INCHIKEY>
JRXZURFEKNKLES-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
455.09397721

> <PUBCHEM_MOLECULAR_FORMULA>
C25H17N3O4S

> <PUBCHEM_MOLECULAR_WEIGHT>
455.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O.C1=CC=C2C(=C1)NC(=N2)C3=CSC=N3

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O.C1=CC=C2C(=C1)NC(=N2)C3=CSC=N3

> <PUBCHEM_CACTVS_TPSA>
137

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
455.09397721

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
33

> <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_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
1  32  8
1  33  8
10  19  8
11  17  8
12  13  8
12  22  8
13  23  8
14  17  8
15  25  8
15  26  8
16  21  8
19  20  8
2  10  8
2  11  8
20  21  8
22  27  8
23  28  8
24  32  8
25  29  8
26  30  8
27  28  8
29  31  8
30  31  8
6  12  8
6  18  8
7  13  8
7  18  8
8  24  8
8  33  8
9  10  8
9  14  8
9  16  8

$$$$