56642828
  -OEChem-04262408202D

 32 33  0     0  0  0  0  0  0999 V2000
    5.5202   -2.4139    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.7958    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.6420   -3.0559    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.2601   -1.1538    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.8451   -0.3261    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2111   -3.3649    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5772   -0.3261    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5772    0.6739    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3092    2.6739    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3092    0.6739    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9021   -2.4139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7111   -1.8261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2111   -3.3649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9511   -2.1048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7111   -0.8261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7989   -4.1739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4432    2.1739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4432    1.1739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5772    2.6739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5772    3.6739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4432    4.1739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3092    3.6739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2973   -4.5384    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1633   -4.6755    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3005   -3.8095    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1141   -0.6361    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0402    2.3639    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0402    3.9839    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4432    4.7939    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8461    3.9839    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3092    0.0539    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8461    0.9839    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  2 14  1  0  0  0  0
  3 14  1  0  0  0  0
  4 14  1  0  0  0  0
  5 15  2  0  0  0  0
  6 11  1  0  0  0  0
  6 13  2  0  0  0  0
  7  8  1  0  0  0  0
  7 15  1  0  0  0  0
  7 26  1  0  0  0  0
  8 18  2  0  0  0  0
  9 17  1  0  0  0  0
  9 22  2  0  0  0  0
 10 18  1  0  0  0  0
 10 31  1  0  0  0  0
 10 32  1  0  0  0  0
 11 12  2  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 16 23  1  0  0  0  0
 16 24  1  0  0  0  0
 16 25  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 19 20  1  0  0  0  0
 19 27  1  0  0  0  0
 20 21  2  0  0  0  0
 20 28  1  0  0  0  0
 21 22  1  0  0  0  0
 21 29  1  0  0  0  0
 22 30  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
56642828

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
445

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
8

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzoYBAAAAAAAAAAAAAAAAAAWAAAAAsAAAAAAAAAAAB4AAAHwQYAAAACAjB1hQ/gZJqEAisATd3dACS8KB1Cjga2DU4ZNgIYPrg0ZGUIYhgiADoyUcQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[(Z)-[amino(2-pyridyl)methylene]amino]-2-methyl-4-(trifluoromethyl)thiazole-5-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[(Z)-[amino(2-pyridinyl)methylidene]amino]-2-methyl-4-(trifluoromethyl)-5-thiazolecarboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[(<I>Z</I>)-[amino(pyridin-2-yl)methylidene]amino]-2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide

> <PUBCHEM_IUPAC_NAME>
N-[(Z)-[amino(pyridin-2-yl)methylidene]amino]-2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[(Z)-[azanyl(pyridin-2-yl)methylidene]amino]-2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[(Z)-[amino(2-pyridyl)methylene]amino]-2-methyl-4-(trifluoromethyl)thiazole-5-carboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C12H10F3N5OS/c1-6-18-9(12(13,14)15)8(22-6)11(21)20-19-10(16)7-4-2-3-5-17-7/h2-5H,1H3,(H2,16,19)(H,20,21)

> <PUBCHEM_IUPAC_INCHIKEY>
XACRVKFXGBOELJ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.2

> <PUBCHEM_EXACT_MASS>
329.05581562

> <PUBCHEM_MOLECULAR_FORMULA>
C12H10F3N5OS

> <PUBCHEM_MOLECULAR_WEIGHT>
329.30

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=NC(=C(S1)C(=O)NN=C(C2=CC=CC=N2)N)C(F)(F)F

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=NC(=C(S1)C(=O)N/N=C(/C2=CC=CC=N2)\N)C(F)(F)F

> <PUBCHEM_CACTVS_TPSA>
122

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
329.05581562

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
22

> <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>
1  12  8
1  13  8
11  12  8
17  19  8
19  20  8
20  21  8
21  22  8
6  11  8
6  13  8
9  17  8
9  22  8

$$$$