5485188
  -OEChem-05082413512D

 28 29  0     0  0  0  0  0  0999 V2000
    6.9535    2.8080    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.5686    1.6865    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.3080    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.6920    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.7320    0.6920    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.8080    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.3080    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.8080    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468    1.0284    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.1920    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.3080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.3080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.1920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.8080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.6920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.8080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3776    0.2853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5468    1.8944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0747   -1.4156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6762   -0.7254    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3860    0.7746    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875    0.0843    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1996   -3.2829    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9966   -3.2829    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5560   -2.2710    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -3.1180    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1760   -3.3449    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5066   -0.3212    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  2 15  1  0  0  0  0
  2 18  1  0  0  0  0
  3 11  1  0  0  0  0
  3 14  1  0  0  0  0
  4 10  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  7 12  1  0  0  0  0
  7 14  1  0  0  0  0
  7 16  1  0  0  0  0
  8 10  1  0  0  0  0
  8 12  2  0  0  0  0
  9 17  1  0  0  0  0
  9 18  2  0  0  0  0
 11 19  1  0  0  0  0
 11 20  1  0  0  0  0
 13 15  1  0  0  0  0
 13 21  1  0  0  0  0
 13 22  1  0  0  0  0
 14 23  1  0  0  0  0
 14 24  1  0  0  0  0
 15 17  2  0  0  0  0
 16 25  1  0  0  0  0
 16 26  1  0  0  0  0
 16 27  1  0  0  0  0
 17 28  1  0  0  0  0
M  CHG  2   4  -1  10   1
M  END
> <PUBCHEM_COMPOUND_CID>
5485188

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
352

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzsABEAAAAAAAAAAAAAAAAAWAAAAAsAAAAAAAAAAABgAAAHgYMAAAACADBUgYvgRMIVAilABBnZQCA8KBRCDhBUAwoRACAAABASQAEAAgIAAJAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(NZ)-N-[3-[(2-chlorothiazol-5-yl)methyl]-5-methyl-1,3,5-oxadiazinan-4-ylidene]nitramide

> <PUBCHEM_IUPAC_CAS_NAME>
(NZ)-N-[3-[(2-chloro-5-thiazolyl)methyl]-5-methyl-1,3,5-oxadiazinan-4-ylidene]nitramide

> <PUBCHEM_IUPAC_NAME_MARKUP>
(<I>N</I><I>Z</I>)-<I>N</I>-[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methyl-1,3,5-oxadiazinan-4-ylidene]nitramide

> <PUBCHEM_IUPAC_NAME>
(NZ)-N-[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methyl-1,3,5-oxadiazinan-4-ylidene]nitramide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(NZ)-N-[3-[(2-chloranyl-1,3-thiazol-5-yl)methyl]-5-methyl-1,3,5-oxadiazinan-4-ylidene]nitramide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(NZ)-N-[3-[(2-chlorothiazol-5-yl)methyl]-5-methyl-1,3,5-oxadiazinan-4-ylidene]nitramide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C8H10ClN5O3S/c1-12-4-17-5-13(8(12)11-14(15)16)3-6-2-10-7(9)18-6/h2H,3-5H2,1H3/b11-8-

> <PUBCHEM_IUPAC_INCHIKEY>
NWWZPOKUUAIXIW-FLIBITNWSA-N

> <PUBCHEM_XLOGP3_AA>
1.5

> <PUBCHEM_EXACT_MASS>
291.0192881

> <PUBCHEM_MOLECULAR_FORMULA>
C8H10ClN5O3S

> <PUBCHEM_MOLECULAR_WEIGHT>
291.72

> <PUBCHEM_OPENEYE_CAN_SMILES>
CN1COCN(C1=N[N+](=O)[O-])CC2=CN=C(S2)Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
CN\1COCN(/C1=N\[N+](=O)[O-])CC2=CN=C(S2)Cl

> <PUBCHEM_CACTVS_TPSA>
115

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
291.0192881

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
18

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
1

> <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>
15  17  8
2  15  8
2  18  8
9  17  8
9  18  8

$$$$