16760158
  -OEChem-04232409102D

 32 34  0     1  0  0  0  0  0999 V2000
    7.4324    2.3794    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.4403    0.1193    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.1724   -2.8807    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8633    2.0704    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4782    1.4794    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5827    2.4740    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.1375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1724    1.1193    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1724    1.1193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4814    2.0704    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2213    0.8103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6724    2.6582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1724    0.1193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3063   -0.3807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0384   -0.3807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3063   -1.3807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0384   -1.3807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    1.2715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1724   -1.8807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6691    2.8807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1075    0.5027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7788    0.9904    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5784    2.6827    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7327    0.4286    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5124    0.2629    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0872    3.1189    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2575    3.1189    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5753   -0.0707    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7694   -1.6907    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5753   -1.6907    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2478    0.7051    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5402    3.4871    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 10  1  1  1  0  0  0
  2 14  1  0  0  0  0
  3 19  1  0  0  0  0
  4  8  1  0  0  0  0
  4 12  1  0  0  0  0
  5  6  1  0  0  0  0
  5 11  1  0  0  0  0
  5 18  1  0  0  0  0
  6 20  2  0  0  0  0
  7 18  2  0  0  0  0
  7 20  1  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  1  0  0  0
  8 13  1  0  0  0  0
  9 10  1  0  0  0  0
  9 21  1  0  0  0  0
  9 22  1  0  0  0  0
 10 12  1  0  0  0  0
 10 23  1  0  0  0  0
 11 24  1  0  0  0  0
 11 25  1  0  0  0  0
 12 26  1  0  0  0  0
 12 27  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  2  0  0  0  0
 15 28  1  0  0  0  0
 16 19  2  0  0  0  0
 16 29  1  0  0  0  0
 17 19  1  0  0  0  0
 17 30  1  0  0  0  0
 18 31  1  0  0  0  0
 20 32  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
16760158

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
352

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzIAAGEAAAAAAAAAAAAAAAAWJAAAAwAAAAAAAAAAABwAAAHgJIAAABzEbhmCY1EIYIFACiAiBDJAASAAswhYAdyAAICqiKLiKBuxmHMAAswAMYqAeQ0PIOhAAAAACBAAAIAAAAAQIAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1-[[(2R,4S)-4-bromo-2-(2,4-dichlorophenyl)tetrahydrofuran-2-yl]methyl]-1,2,4-triazole

> <PUBCHEM_IUPAC_CAS_NAME>
1-[[(2R,4S)-4-bromo-2-(2,4-dichlorophenyl)-2-oxolanyl]methyl]-1,2,4-triazole

> <PUBCHEM_IUPAC_NAME_MARKUP>
1-[[(2<I>R</I>,4<I>S</I>)-4-bromo-2-(2,4-dichlorophenyl)oxolan-2-yl]methyl]-1,2,4-triazole

> <PUBCHEM_IUPAC_NAME>
1-[[(2R,4S)-4-bromo-2-(2,4-dichlorophenyl)oxolan-2-yl]methyl]-1,2,4-triazole

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1-[[(2R,4S)-4-bromanyl-2-(2,4-dichlorophenyl)oxolan-2-yl]methyl]-1,2,4-triazole

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1-[[(2R,4S)-4-bromo-2-(2,4-dichlorophenyl)tetrahydrofuran-2-yl]methyl]-1,2,4-triazole

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C13H12BrCl2N3O/c14-9-4-13(20-5-9,6-19-8-17-7-18-19)11-2-1-10(15)3-12(11)16/h1-3,7-9H,4-6H2/t9-,13-/m0/s1

> <PUBCHEM_IUPAC_INCHIKEY>
HJJVPARKXDDIQD-ZANVPECISA-N

> <PUBCHEM_XLOGP3>
3.6

> <PUBCHEM_EXACT_MASS>
374.95408

> <PUBCHEM_MOLECULAR_FORMULA>
C13H12BrCl2N3O

> <PUBCHEM_MOLECULAR_WEIGHT>
377.1

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1C(COC1(CN2C=NC=N2)C3=C(C=C(C=C3)Cl)Cl)Br

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1[C@@H](CO[C@@]1(CN2C=NC=N2)C3=C(C=C(C=C3)Cl)Cl)Br

> <PUBCHEM_CACTVS_TPSA>
39.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
374.95408

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
20

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
2

> <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>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  1  5
13  14  8
13  15  8
14  16  8
15  17  8
16  19  8
17  19  8
5  18  8
5  6  8
6  20  8
7  18  8
7  20  8
8  11  5

$$$$