56642945
  -OEChem-05132406022D

 37 39  0     0  0  0  0  0  0999 V2000
    2.0000   -2.5000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2573    2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -0.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9501    2.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7101    2.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6592   -0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    3.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632    0.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632    2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -0.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 23  1  0  0  0  0
  2  8  1  0  0  0  0
  2 10  2  0  0  0  0
  3  4  1  0  0  0  0
  3 11  1  0  0  0  0
  3 26  1  0  0  0  0
  4  9  2  0  0  0  0
  5  6  2  0  0  0  0
  5 10  1  0  0  0  0
  6 17  1  0  0  0  0
  7 10  1  0  0  0  0
  7 12  2  0  0  0  0
  7 13  1  0  0  0  0
  8  9  1  0  0  0  0
  8 17  2  0  0  0  0
  9 14  1  0  0  0  0
 11 15  2  0  0  0  0
 11 16  1  0  0  0  0
 12 18  1  0  0  0  0
 12 24  1  0  0  0  0
 13 19  2  0  0  0  0
 13 25  1  0  0  0  0
 14 27  1  0  0  0  0
 14 28  1  0  0  0  0
 14 29  1  0  0  0  0
 15 21  1  0  0  0  0
 15 30  1  0  0  0  0
 16 22  2  0  0  0  0
 16 31  1  0  0  0  0
 17 32  1  0  0  0  0
 18 20  2  0  0  0  0
 18 33  1  0  0  0  0
 19 20  1  0  0  0  0
 19 34  1  0  0  0  0
 20 35  1  0  0  0  0
 21 23  2  0  0  0  0
 21 36  1  0  0  0  0
 22 23  1  0  0  0  0
 22 37  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
56642945

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
388

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7gAAEAAAAAAAAAAAAAAAAAAAAAAA8YIAAAAAAAAAB0AAAHAIYAAAADArBHyQ/0JZqEACiAzZnZACShC8hl6AdmCAwdpiIaKKBm5GUoAhgmAKIyCcQgAAOAABAAAAAAAAAAIAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
4-chloro-N-[(Z)-1-(3-phenyl-1,2,4-triazin-5-yl)ethylideneamino]aniline

> <PUBCHEM_IUPAC_CAS_NAME>
4-chloro-N-[(Z)-1-(3-phenyl-1,2,4-triazin-5-yl)ethylideneamino]aniline

> <PUBCHEM_IUPAC_NAME_MARKUP>
4-chloro-<I>N</I>-[(<I>Z</I>)-1-(3-phenyl-1,2,4-triazin-5-yl)ethylideneamino]aniline

> <PUBCHEM_IUPAC_NAME>
4-chloro-N-[(Z)-1-(3-phenyl-1,2,4-triazin-5-yl)ethylideneamino]aniline

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4-chloranyl-N-[(Z)-1-(3-phenyl-1,2,4-triazin-5-yl)ethylideneamino]aniline

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(4-chlorophenyl)-[(Z)-1-(3-phenyl-1,2,4-triazin-5-yl)ethylideneamino]amine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C17H14ClN5/c1-12(21-22-15-9-7-14(18)8-10-15)16-11-19-23-17(20-16)13-5-3-2-4-6-13/h2-11,22H,1H3/b21-12-

> <PUBCHEM_IUPAC_INCHIKEY>
FQQIOGMAYPQNSK-MTJSOVHGSA-N

> <PUBCHEM_XLOGP3_AA>
3.7

> <PUBCHEM_EXACT_MASS>
323.0937732

> <PUBCHEM_MOLECULAR_FORMULA>
C17H14ClN5

> <PUBCHEM_MOLECULAR_WEIGHT>
323.8

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(=NNC1=CC=C(C=C1)Cl)C2=CN=NC(=N2)C3=CC=CC=C3

> <PUBCHEM_OPENEYE_ISO_SMILES>
C/C(=N/NC1=CC=C(C=C1)Cl)/C2=CN=NC(=N2)C3=CC=CC=C3

> <PUBCHEM_CACTVS_TPSA>
63.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
323.0937732

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
23

> <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  15  8
11  16  8
12  18  8
13  19  8
15  21  8
16  22  8
18  20  8
19  20  8
2  10  8
2  8  8
21  23  8
22  23  8
5  10  8
5  6  8
6  17  8
7  12  8
7  13  8
8  17  8

$$$$