4147810
  -OEChem-05102423532D

 28 29  0     0  0  0  0  0  0999 V2000
    3.9538    0.9514    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6750   -0.8087    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7281    3.5875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0570   -0.8087    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660    0.1424    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.3965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5471    1.8649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1349    2.6739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.3965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.8965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.8965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660    0.1424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.8965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.8965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.3965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3159    4.3965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1164    2.3109    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0331    1.5182    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5656    2.2279    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6489    3.0206    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.5865    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.5865    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -4.2065    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -4.2065    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -5.0165    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8175    4.0321    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6803    4.8981    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8143    4.7609    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 12  1  0  0  0  0
  2  9  1  0  0  0  0
  2 12  1  0  0  0  0
  3  8  1  0  0  0  0
  3 16  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  2  0  0  0  0
  5 12  2  0  0  0  0
  6  9  1  0  0  0  0
  6 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7 17  1  0  0  0  0
  7 18  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
 10 13  1  0  0  0  0
 10 21  1  0  0  0  0
 11 14  2  0  0  0  0
 11 22  1  0  0  0  0
 13 15  2  0  0  0  0
 13 23  1  0  0  0  0
 14 15  1  0  0  0  0
 14 24  1  0  0  0  0
 15 25  1  0  0  0  0
 16 26  1  0  0  0  0
 16 27  1  0  0  0  0
 16 28  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
4147810

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
200

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzMABAAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAAABwAAAHgQIAAAADACl2gKyAIAABEiqAiFyEACSAABsABAaiCEgDNgIJrKAtRmIMQBkyAEIqYeYyCCOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-(2-methoxyethylsulfanyl)-5-phenyl-1,3,4-oxadiazole

> <PUBCHEM_IUPAC_CAS_NAME>
2-(2-methoxyethylthio)-5-phenyl-1,3,4-oxadiazole

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-(2-methoxyethylsulfanyl)-5-phenyl-1,3,4-oxadiazole

> <PUBCHEM_IUPAC_NAME>
2-(2-methoxyethylsulfanyl)-5-phenyl-1,3,4-oxadiazole

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-(2-methoxyethylsulfanyl)-5-phenyl-1,3,4-oxadiazole

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-(2-methoxyethylthio)-5-phenyl-1,3,4-oxadiazole

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C11H12N2O2S/c1-14-7-8-16-11-13-12-10(15-11)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3

> <PUBCHEM_IUPAC_INCHIKEY>
PALVPWRKXSMRST-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.1

> <PUBCHEM_EXACT_MASS>
236.06194880

> <PUBCHEM_MOLECULAR_FORMULA>
C11H12N2O2S

> <PUBCHEM_MOLECULAR_WEIGHT>
236.29

> <PUBCHEM_OPENEYE_CAN_SMILES>
COCCSC1=NN=C(O1)C2=CC=CC=C2

> <PUBCHEM_OPENEYE_ISO_SMILES>
COCCSC1=NN=C(O1)C2=CC=CC=C2

> <PUBCHEM_CACTVS_TPSA>
73.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
236.06194880

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
16

> <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>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  13  8
11  14  8
13  15  8
14  15  8
2  12  8
2  9  8
4  5  8
4  9  8
5  12  8
6  10  8
6  11  8

$$$$