9668555
  -OEChem-05072407182D

 23 24  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    1.1012    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
    3.7320    0.6012    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
    5.4641   -2.3988    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
    5.5686   -3.3933    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   -1.8988    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
    6.5468   -3.6012    0.0000 C   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
    2.3291    2.4112    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
    5.1079   -3.8082    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
    5.1350    2.4112    0.0000 H   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
    7.6634   -2.6704    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  2 12  1  0  0  0  0
  3  9  1  0  0  0  0
  3 16  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4 18  1  0  0  0  0
  5  7  1  0  0  0  0
  5 14  2  0  0  0  0
  6 13  2  0  0  0  0
  7  8  2  0  0  0  0
  8 10  1  0  0  0  0
  9 11  2  0  0  0  0
  9 13  1  0  0  0  0
 10 12  2  0  0  0  0
 10 17  1  0  0  0  0
 11 15  1  0  0  0  0
 11 19  1  0  0  0  0
 12 14  1  0  0  0  0
 13 20  1  0  0  0  0
 14 21  1  0  0  0  0
 15 16  2  0  0  0  0
 15 22  1  0  0  0  0
 16 23  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
9668555

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
252

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBzAABGAAAAAAAAAAAAAAAAASAAAAAsAAAAAAAAAAAB4AAAHAYYAAAACALFUiS9sZJqEAikADJnZACThKkxDTBc2DgoRpiIIOLhk5HEIAhgiALoyCYQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

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

> <PUBCHEM_IUPAC_CAS_NAME>
3,5-dichloro-N-[(E)-thiophen-2-ylmethylideneamino]-2-pyridinamine

> <PUBCHEM_IUPAC_NAME_MARKUP>
3,5-dichloro-<I>N</I>-[(<I>E</I>)-thiophen-2-ylmethylideneamino]pyridin-2-amine

> <PUBCHEM_IUPAC_NAME>
3,5-dichloro-N-[(E)-thiophen-2-ylmethylideneamino]pyridin-2-amine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
3,5-bis(chloranyl)-N-[(E)-thiophen-2-ylmethylideneamino]pyridin-2-amine

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H7Cl2N3S/c11-7-4-9(12)10(13-5-7)15-14-6-8-2-1-3-16-8/h1-6H,(H,13,15)/b14-6+

> <PUBCHEM_IUPAC_INCHIKEY>
JJEJCNORHGMLRR-MKMNVTDBSA-N

> <PUBCHEM_XLOGP3_AA>
4.1

> <PUBCHEM_EXACT_MASS>
270.9737738

> <PUBCHEM_MOLECULAR_FORMULA>
C10H7Cl2N3S

> <PUBCHEM_MOLECULAR_WEIGHT>
272.15

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CSC(=C1)C=NNC2=C(C=C(C=N2)Cl)Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CSC(=C1)/C=N/NC2=C(C=C(C=N2)Cl)Cl

> <PUBCHEM_CACTVS_TPSA>
65.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
270.9737738

> <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>
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>
10  12  8
11  15  8
12  14  8
15  16  8
3  16  8
3  9  8
5  14  8
5  7  8
7  8  8
8  10  8
9  11  8

$$$$