
 SCHEMBL1278959

 44 46  0  0  0  0  0  0  0  0999 V2000
    4.7072   -1.6469    0.3808 C   0  0  0  0  0
    4.8053   -0.8545    1.6211 C   0  0  0  0  0
    4.7306    0.4926    1.9183 C   0  0  0  0  0
    4.9410    0.5332    3.3253 C   0  0  0  0  0
    5.1256   -0.6919    3.8288 N   0  0  0  0  0
    5.0376   -1.5575    2.7592 O   0  0  0  0  0
    4.9860    1.7161    4.2177 C   0  0  0  0  0
    4.5291    1.6350    0.9929 C   0  0  0  0  0
    3.1400    2.0820    0.9709 N   0  0  0  0  0
    2.1542    1.6224    0.1431 C   0  0  0  0  0
    1.0553    2.4282    0.3448 C   0  0  0  0  0
    1.4699    3.3195    1.3580 C   0  0  0  0  0
    2.7463    3.1320    1.7207 N   0  0  0  0  0
   -0.1126    2.2390   -0.3686 N   0  0  0  0  0
   -1.2843    2.9425   -0.4581 C   0  0  0  0  0
   -2.4643    2.1724   -1.3672 S   0  0  0  0  0
   -1.3289    4.1756    0.1280 N   0  0  0  0  0
   -2.3561    5.1471    0.2825 C   0  0  0  0  0
   -3.7148    4.9336    0.0443 C   0  0  0  0  0
   -4.6400    5.9720    0.1971 C   0  0  0  0  0
   -4.2212    7.2298    0.6166 C   0  0  0  0  0
   -2.8734    7.4560    0.8915 C   0  0  0  0  0
   -1.9401    6.4262    0.7213 C   0  0  0  0  0
   -0.5929    6.5540    0.9824 O   0  0  0  0  0
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    4.7057   -2.7214    0.5921 H   0  0  0  0  0
    5.5558   -1.4324   -0.2761 H   0  0  0  0  0
    3.7847   -1.4084   -0.1569 H   0  0  0  0  0
    5.3215    1.4470    5.2251 H   0  0  0  0  0
    3.9941    2.1701    4.3010 H   0  0  0  0  0
    5.6805    2.4657    3.8252 H   0  0  0  0  0
    4.7963    1.3646   -0.0355 H   0  0  0  0  0
    5.1500    2.4925    1.2758 H   0  0  0  0  0
    2.3249    0.7912   -0.5263 H   0  0  0  0  0
    0.9152    4.0989    1.8630 H   0  0  0  0  0
   -0.1319    1.3982   -0.9373 H   0  0  0  0  0
   -0.4262    4.5710    0.3567 H   0  0  0  0  0
   -4.1088    3.9697   -0.2487 H   0  0  0  0  0
   -5.6925    5.7888   -0.0073 H   0  0  0  0  0
   -4.9468    8.0296    0.7424 H   0  0  0  0  0
   -2.5855    8.4393    1.2475 H   0  0  0  0  0
   -0.4371    8.4648    1.8096 H   0  0  0  0  0
   -0.2993    8.3739    0.0097 H   0  0  0  0  0
    1.0150    7.8092    1.0515 H   0  0  0  0  0
  1  2  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  2  6  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  3  8  1  0  0  0
  4  5  2  0  0  0
  4  7  1  0  0  0
  5  6  1  0  0  0
  7 29  1  0  0  0
  7 30  1  0  0  0
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  8  9  1  0  0  0
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  9 10  1  0  0  0
  9 13  1  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL1278959

>  <PubChem CID>
57422318

>  <Formula>
C17H19N5O2S

>  <Molecular Weight>
357.432000

>  <IUPAC Name>
1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-3-(2-methoxyphenyl)thiourea

>  <XlogP>
2.2

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=C(C(=NO1)C)CN2C=C(C=N2)NC(=S)NC3=CC=CC=C3OC

>  <Isomeric SMILES>
CC1=C(C(=NO1)C)CN2C=C(C=N2)NC(=S)NC3=CC=CC=C3OC

>  <InChI Std. ID>
InChI=1S/C17H19N5O2S/c1-11-14(12(2)24-21-11)10-22-9-13(8-18-22)19-17(25)20-15-6-4-5-7-16(15)23-3/h4-9H,10H2,1-3H3,(H2,19,20,25)

>  <InChI Key>
AFZVNBNXHHHQGB-UHFFFAOYSA-N

