46829236
  -OEChem-04252406232D

 32 34  0     0  0  0  0  0  0999 V2000
    2.0000   -0.0194    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.0194    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.4806    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0570    2.0684    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660    3.0194    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.4806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.4806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.4806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.4806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.9806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.4806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6750    2.0684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660    3.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.2094    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.6394    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -1.2094    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    1.7906    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.8294    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.1706    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -2.8294    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.6006    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.6394    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    1.7906    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2647    1.8768    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7304    3.5210    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  2  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  0  0  0  0
  3  4  1  0  0  0  0
  3  8  1  0  0  0  0
  3 19  1  0  0  0  0
  4  5  2  0  0  0  0
  5 20  1  0  0  0  0
  6  9  2  0  0  0  0
  6 11  1  0  0  0  0
  7 10  2  0  0  0  0
  7 12  1  0  0  0  0
  9 13  1  0  0  0  0
  9 21  1  0  0  0  0
 10 14  1  0  0  0  0
 10 22  1  0  0  0  0
 11 15  2  0  0  0  0
 11 23  1  0  0  0  0
 12 16  2  0  0  0  0
 12 24  1  0  0  0  0
 13 17  2  0  0  0  0
 13 25  1  0  0  0  0
 14 18  2  0  0  0  0
 14 26  1  0  0  0  0
 15 17  1  0  0  0  0
 15 27  1  0  0  0  0
 16 18  1  0  0  0  0
 16 28  1  0  0  0  0
 17 29  1  0  0  0  0
 18 30  1  0  0  0  0
 19 20  2  0  0  0  0
 19 31  1  0  0  0  0
 20 32  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
46829236

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
306

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzoAAAAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAAAB0AAAHgAIAAAACAjBEgQ9wJMIAACqADRnVACCBAQxkgAeiAAYdIiIYGLAkZGUIAhohgLIyCcQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N,N-diphenyltriazole-1-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
N,N-diphenyl-1-triazolecarboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>,<I>N</I>-diphenyltriazole-1-carboxamide

> <PUBCHEM_IUPAC_NAME>
N,N-diphenyltriazole-1-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N,N-diphenyl-1,2,3-triazole-1-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N,N-diphenyltriazole-1-carboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H12N4O/c20-15(18-12-11-16-17-18)19(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-12H

> <PUBCHEM_IUPAC_INCHIKEY>
IINTWBDXWZFGFW-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.7

> <PUBCHEM_EXACT_MASS>
264.10111102

> <PUBCHEM_MOLECULAR_FORMULA>
C15H12N4O

> <PUBCHEM_MOLECULAR_WEIGHT>
264.28

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C(C=C1)N(C2=CC=CC=C2)C(=O)N3C=CN=N3

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C(C=C1)N(C2=CC=CC=C2)C(=O)N3C=CN=N3

> <PUBCHEM_CACTVS_TPSA>
51

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
264.10111102

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
20

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <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  14  8
11  15  8
12  16  8
13  17  8
14  18  8
15  17  8
16  18  8
19  20  8
3  19  8
3  4  8
4  5  8
5  20  8
6  11  8
6  9  8
7  10  8
7  12  8
9  13  8

$$$$