51361283
  -OEChem-05112403412D

 32 35  0     0  0  0  0  0  0999 V2000
    2.0000   -0.4894    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.7873    1.8216    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.7157   -0.6804    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.9894    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -2.2942    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -0.6847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8550    0.2658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1279   -1.4894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.9894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1871    1.0101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.4894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1279   -1.4894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.4894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.9894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.9894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3967    1.9879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1924    0.9073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7157   -2.2984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5316    2.4894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6668   -1.9894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6668   -0.9894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4019   -0.0262    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2375    0.7537    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.1306    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.1094    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -2.2994    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9636    2.2391    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8815    0.3709    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5241   -2.8881    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4678    3.1061    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1683   -2.3538    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1683   -0.6250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  2 17  1  0  0  0  0
  2 19  1  0  0  0  0
  3 12  1  0  0  0  0
  3 21  1  0  0  0  0
  4  6  1  0  0  0  0
  4  9  1  0  0  0  0
  4 11  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  7 10  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 16  1  0  0  0  0
 10 17  2  0  0  0  0
 11 14  2  0  0  0  0
 11 24  1  0  0  0  0
 12 18  2  0  0  0  0
 13 15  2  0  0  0  0
 13 25  1  0  0  0  0
 14 15  1  0  0  0  0
 15 26  1  0  0  0  0
 16 19  2  0  0  0  0
 16 27  1  0  0  0  0
 17 28  1  0  0  0  0
 18 20  1  0  0  0  0
 18 29  1  0  0  0  0
 19 30  1  0  0  0  0
 20 21  2  0  0  0  0
 20 31  1  0  0  0  0
 21 32  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
51361283

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
372

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7IABAEAAAAAAAAAAAAAAAAWJEgAAsAAAAAAAAAFgB/gAAHgRAAAABrAzl3wa9tZ8MHEisA7535ASDiK03OrRJ2Dm+fPiObvrkvbuXOajuwBP46/eY2fOeAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
6-bromo-2-(2-furyl)-3-(3-thienylmethyl)imidazo[1,2-a]pyridine

> <PUBCHEM_IUPAC_CAS_NAME>
6-bromo-2-(2-furanyl)-3-(3-thiophenylmethyl)imidazo[1,2-a]pyridine

> <PUBCHEM_IUPAC_NAME_MARKUP>
6-bromo-2-(furan-2-yl)-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine

> <PUBCHEM_IUPAC_NAME>
6-bromo-2-(furan-2-yl)-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
6-bromanyl-2-(furan-2-yl)-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
6-bromo-2-(2-furyl)-3-(3-thenyl)imidazo[1,2-a]pyridine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C16H11BrN2OS/c17-12-3-4-15-18-16(14-2-1-6-20-14)13(19(15)9-12)8-11-5-7-21-10-11/h1-7,9-10H,8H2

> <PUBCHEM_IUPAC_INCHIKEY>
MPFSIFRPGZMJHH-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.9

> <PUBCHEM_EXACT_MASS>
357.97755

> <PUBCHEM_MOLECULAR_FORMULA>
C16H11BrN2OS

> <PUBCHEM_MOLECULAR_WEIGHT>
359.2

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=COC(=C1)C2=C(N3C=C(C=CC3=N2)Br)CC4=CSC=C4

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=COC(=C1)C2=C(N3C=C(C=CC3=N2)Br)CC4=CSC=C4

> <PUBCHEM_CACTVS_TPSA>
58.7

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
357.97755

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
21

> <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  16  8
10  17  8
11  14  8
12  18  8
13  15  8
14  15  8
16  19  8
18  20  8
2  17  8
2  19  8
20  21  8
3  12  8
3  21  8
4  11  8
4  6  8
4  9  8
5  8  8
5  9  8
6  8  8
9  13  8

$$$$