3034012
  -OEChem-04162412202D

 22 23  0     0  0  0  0  0  0999 V2000
    2.8660    0.9806    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5194    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.5194    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.9806    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4071    2.5684    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0981    3.5194    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.4806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.9806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7891    2.5684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981    3.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.7094    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.6706    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -2.3294    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.3294    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1994    2.3768    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4625    4.0210    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  2  9  1  0  0  0  0
  3 14  1  0  0  0  0
  4  5  1  0  0  0  0
  4 11  1  0  0  0  0
  4 15  1  0  0  0  0
  5 16  2  0  0  0  0
  6 15  2  0  0  0  0
  6 16  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
  8 11  2  0  0  0  0
  9 12  1  0  0  0  0
 10 13  2  0  0  0  0
 10 17  1  0  0  0  0
 11 18  1  0  0  0  0
 12 14  2  0  0  0  0
 12 19  1  0  0  0  0
 13 14  1  0  0  0  0
 13 20  1  0  0  0  0
 15 21  1  0  0  0  0
 16 22  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
3034012

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
272

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBzAAAGAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAAABwAAAHAIIAAAADALBGCQ1EIYIEACiAiBHZAASAAswhYANyAAIAoiIKCKBExCAIAAogAAIiAcAgAAOBAAAAACBAAAIAAAAAQIAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1-[(Z)-2-chloro-2-(2,4-dichlorophenyl)vinyl]-1,2,4-triazole

> <PUBCHEM_IUPAC_CAS_NAME>
1-[(Z)-2-chloro-2-(2,4-dichlorophenyl)ethenyl]-1,2,4-triazole

> <PUBCHEM_IUPAC_NAME_MARKUP>
1-[(<I>Z</I>)-2-chloro-2-(2,4-dichlorophenyl)ethenyl]-1,2,4-triazole

> <PUBCHEM_IUPAC_NAME>
1-[(Z)-2-chloro-2-(2,4-dichlorophenyl)ethenyl]-1,2,4-triazole

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1-[(Z)-2-chloranyl-2-(2,4-dichlorophenyl)ethenyl]-1,2,4-triazole

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1-[(Z)-2-chloro-2-(2,4-dichlorophenyl)vinyl]-1,2,4-triazole

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H6Cl3N3/c11-7-1-2-8(9(12)3-7)10(13)4-16-6-14-5-15-16/h1-6H/b10-4-

> <PUBCHEM_IUPAC_INCHIKEY>
XGLHZTBDUXXHOM-WMZJFQQLSA-N

> <PUBCHEM_XLOGP3_AA>
3.8

> <PUBCHEM_EXACT_MASS>
272.962730

> <PUBCHEM_MOLECULAR_FORMULA>
C10H6Cl3N3

> <PUBCHEM_MOLECULAR_WEIGHT>
274.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC(=C(C=C1Cl)Cl)C(=CN2C=NC=N2)Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC(=C(C=C1Cl)Cl)/C(=C/N2C=NC=N2)/Cl

> <PUBCHEM_CACTVS_TPSA>
30.7

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
272.962730

> <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  13  8
12  14  8
13  14  8
4  15  8
4  5  8
5  16  8
6  15  8
6  16  8
7  10  8
7  9  8
9  12  8

$$$$