
 1-Benzyl-2-(1-phenyl-1H-tetrazol-5-ylsulfanylmethyl)-1H-benzoimidazole

 47 51  0  0  0  0  0  0  0  0999 V2000
    2.2795    0.2510   -4.8293 C   0  0  0  0  0
    2.1601    1.1415   -3.7669 C   0  0  0  0  0
    2.6223    0.7814   -2.4997 C   0  0  0  0  0
    3.2117   -0.4757   -2.2728 C   0  0  0  0  0
    3.3248   -1.3592   -3.3567 C   0  0  0  0  0
    2.8601   -0.9977   -4.6239 C   0  0  0  0  0
    3.6951   -0.7816   -0.8740 C   0  0  0  0  0
    4.2600   -2.1113   -0.6911 N   0  0  0  0  0
    5.5888   -2.4400   -0.8686 C   0  0  0  0  0
    6.7029   -1.7256   -1.3262 C   0  0  0  0  0
    7.9202   -2.4161   -1.3899 C   0  0  0  0  0
    8.0156   -3.7545   -1.0090 C   0  0  0  0  0
    6.8913   -4.4467   -0.5479 C   0  0  0  0  0
    5.6637   -3.7718   -0.4834 C   0  0  0  0  0
    4.4403   -4.2346   -0.0861 N   0  0  0  0  0
    3.5904   -3.2393   -0.2568 C   0  0  0  0  0
    2.1114   -3.3063   -0.0220 C   0  0  0  0  0
    1.4578   -5.0038   -0.2009 S   0  0  0  0  0
    1.6192   -5.1735   -1.9173 C   0  0  0  0  0
    0.8100   -4.5678   -2.7597 N   0  0  0  0  0
    1.3606   -4.7266   -3.9961 N   0  0  0  0  0
    2.5005   -5.3942   -3.9279 N   0  0  0  0  0
    2.6695   -5.7536   -2.6204 N   0  0  0  0  0
    3.7652   -6.5834   -2.2539 C   0  0  0  0  0
    4.8306   -6.7320   -3.1621 C   0  0  0  0  0
    5.9405   -7.5148   -2.8371 C   0  0  0  0  0
    5.9928   -8.1736   -1.6129 C   0  0  0  0  0
    4.9331   -8.0531   -0.7163 C   0  0  0  0  0
    3.8206   -7.2646   -1.0332 C   0  0  0  0  0
    1.9189    0.5265   -5.8167 H   0  0  0  0  0
    1.7060    2.1164   -3.9250 H   0  0  0  0  0
    2.5188    1.4961   -1.6850 H   0  0  0  0  0
    3.7734   -2.3447   -3.2481 H   0  0  0  0  0
    2.9505   -1.6984   -5.4511 H   0  0  0  0  0
    2.8686   -0.6769   -0.1617 H   0  0  0  0  0
    4.4678   -0.0592   -0.5851 H   0  0  0  0  0
    6.6366   -0.6889   -1.6363 H   0  0  0  0  0
    8.8076   -1.8985   -1.7487 H   0  0  0  0  0
    8.9704   -4.2713   -1.0735 H   0  0  0  0  0
    6.9517   -5.4882   -0.2553 H   0  0  0  0  0
    1.5662   -2.6492   -0.7068 H   0  0  0  0  0
    1.8997   -2.9719    0.9986 H   0  0  0  0  0
    4.8305   -6.2183   -4.1220 H   0  0  0  0  0
    6.7668   -7.5994   -3.5384 H   0  0  0  0  0
    6.8589   -8.7774   -1.3555 H   0  0  0  0  0
    4.9726   -8.5691    0.2403 H   0  0  0  0  0
    3.0209   -7.2220   -0.3026 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 30  1  0  0  0
  2  3  1  0  0  0
  2 31  1  0  0  0
  3  4  2  0  0  0
  3 32  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  5  6  2  0  0  0
  5 33  1  0  0  0
  6 34  1  0  0  0
  7  8  1  0  0  0
  7 35  1  0  0  0
  7 36  1  0  0  0
  8 16  1  0  0  0
  8  9  1  0  0  0
  9 14  1  0  0  0
  9 10  2  0  0  0
 10 11  1  0  0  0
 10 37  1  0  0  0
 11 12  2  0  0  0
 11 38  1  0  0  0
 12 13  1  0  0  0
 12 39  1  0  0  0
 13 14  2  0  0  0
 13 40  1  0  0  0
 14 15  1  0  0  0
 15 16  2  0  0  0
 16 17  1  0  0  0
 17 18  1  0  0  0
 17 41  1  0  0  0
 17 42  1  0  0  0
 18 19  1  0  0  0
 19 23  1  0  0  0
 19 20  2  0  0  0
 20 21  1  0  0  0
 21 22  2  0  0  0
 22 23  1  0  0  0
 23 24  1  0  0  0
 24 25  2  0  0  0
 24 29  1  0  0  0
 25 26  1  0  0  0
 25 43  1  0  0  0
 26 27  2  0  0  0
 26 44  1  0  0  0
 27 28  1  0  0  0
 27 45  1  0  0  0
 28 29  2  0  0  0
 28 46  1  0  0  0
 29 47  1  0  0  0
M  END

>  <Chemical Name>
1-Benzyl-2-(1-phenyl-1H-tetrazol-5-ylsulfanylmethyl)-1H-benzoimidazole

>  <PubChem CID>
1105872

>  <Formula>
C22H18N6S

>  <Molecular Weight>
398.488000

>  <IUPAC Name>
1-benzyl-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]benzimidazole

>  <XlogP>
4.7

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1=CC=C(C=C1)CN2C3=CC=CC=C3N=C2CSC4=NN=NN4C5=CC=CC=C5

>  <Isomeric SMILES>
C1=CC=C(C=C1)CN2C3=CC=CC=C3N=C2CSC4=NN=NN4C5=CC=CC=C5

>  <InChI Std. ID>
InChI=1S/C22H18N6S/c1-3-9-17(10-4-1)15-27-20-14-8-7-13-19(20)23-21(27)16-29-22-24-25-26-28(22)18-11-5-2-6-12-18/h1-14H,15-16H2

>  <InChI Key>
AAMXDGPOCNFAOV-UHFFFAOYSA-N

