9641270
  -OEChem-04232420412D

 26 27  0     0  0  0  0  0  0999 V2000
    2.0000    0.6012    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.6012    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.3776   -1.9920    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.3988    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.8988    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.1012    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468   -2.7352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.3988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5468   -3.6012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5686   -3.3933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.6012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0413   -2.6307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.8988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.6012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7990   -4.1676    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1079   -3.8082    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1061   -3.2473    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6579   -2.5659    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9765   -2.0141    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611   -2.2088    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -0.7088    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    2.4112    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.4112    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  2 16  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  5  1  0  0  0  0
  4 11  1  0  0  0  0
  4 24  1  0  0  0  0
  5 13  2  0  0  0  0
  6 11  1  0  0  0  0
  6 17  2  0  0  0  0
  7  9  2  0  0  0  0
  7 12  1  0  0  0  0
  8 10  2  0  0  0  0
  8 13  1  0  0  0  0
  9 10  1  0  0  0  0
  9 18  1  0  0  0  0
 10 19  1  0  0  0  0
 11 14  2  0  0  0  0
 12 20  1  0  0  0  0
 12 21  1  0  0  0  0
 12 22  1  0  0  0  0
 13 23  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 25  1  0  0  0  0
 16 17  1  0  0  0  0
 17 26  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
9641270

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
277

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzAABGAAAAAAAAAAAAAAAAASAAAAAsAAAAAAAAAAAB4AAAHAYYAAAACALBUiQ/sZJqEAikADJnZACThKkxDTBc2DgoRpiIIOLhk5HEIAhgiALoyCcQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
3,5-dichloro-N-[(E)-(5-methyl-2-thienyl)methyleneamino]pyridin-2-amine

> <PUBCHEM_IUPAC_CAS_NAME>
3,5-dichloro-N-[(E)-(5-methyl-2-thiophenyl)methylideneamino]-2-pyridinamine

> <PUBCHEM_IUPAC_NAME_MARKUP>
3,5-dichloro-<I>N</I>-[(<I>E</I>)-(5-methylthiophen-2-yl)methylideneamino]pyridin-2-amine

> <PUBCHEM_IUPAC_NAME>
3,5-dichloro-N-[(E)-(5-methylthiophen-2-yl)methylideneamino]pyridin-2-amine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
3,5-bis(chloranyl)-N-[(E)-(5-methylthiophen-2-yl)methylideneamino]pyridin-2-amine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(3,5-dichloro-2-pyridyl)-[(E)-(5-methyl-2-thienyl)methyleneamino]amine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C11H9Cl2N3S/c1-7-2-3-9(17-7)6-15-16-11-10(13)4-8(12)5-14-11/h2-6H,1H3,(H,14,16)/b15-6+

> <PUBCHEM_IUPAC_INCHIKEY>
VIYPCMSAFNCFIA-GIDUJCDVSA-N

> <PUBCHEM_XLOGP3_AA>
4.5

> <PUBCHEM_EXACT_MASS>
284.9894239

> <PUBCHEM_MOLECULAR_FORMULA>
C11H9Cl2N3S

> <PUBCHEM_MOLECULAR_WEIGHT>
286.2

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CC=C(S1)C=NNC2=C(C=C(C=N2)Cl)Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=CC=C(S1)/C=N/NC2=C(C=C(C=N2)Cl)Cl

> <PUBCHEM_CACTVS_TPSA>
65.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
284.9894239

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
17

> <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>
11  14  8
14  15  8
15  16  8
16  17  8
3  7  8
3  8  8
6  11  8
6  17  8
7  9  8
8  10  8
9  10  8

$$$$