
 MLS000860444

 38 39  0  0  0  0  0  0  0  0999 V2000
    4.8014    1.5603   -0.3766 C   0  0  0  0  0
    3.5613    1.1825    0.3463 C   0  0  0  0  0
    2.4326    1.9652    0.5547 C   0  0  0  0  0
    1.3213    1.0076    1.4425 S   0  0  0  0  0
    2.3394   -0.3083    1.5072 N   0  0  0  0  0
    3.4889   -0.0954    0.8934 N   0  0  0  0  0
    2.1530    3.3216    0.1332 C   0  0  0  0  0
    2.9117    3.9774   -0.5849 O   0  0  0  0  0
    0.9635    3.8667    0.6060 N   0  0  0  0  0
    0.7584    5.2453    0.4435 N   0  0  0  0  0
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    5.2432    2.4625    0.0574 H   0  0  0  0  0
    4.5886    1.7432   -1.4341 H   0  0  0  0  0
    0.5029    3.4522    1.4095 H   0  0  0  0  0
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    0.0375    7.6123   -0.4750 H   0  0  0  0  0
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   -4.5640    6.7960   -2.7393 H   0  0  0  0  0
   -4.0958    8.4373   -2.2787 H   0  0  0  0  0
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   -6.7526    6.5479   -0.5170 H   0  0  0  0  0
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  7  8  2  0  0  0
  9 10  1  0  0  0
  9 24  1  0  0  0
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M  END

>  <Chemical Name>
MLS000860444

>  <PubChem CID>
2813088

>  <Formula>
C14H18N4OS

>  <Molecular Weight>
290.385000

>  <IUPAC Name>
N'-(4-tert-butylphenyl)-4-methylthiadiazole-5-carbohydrazide

>  <XlogP>
4.0

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=C(SN=N1)C(=O)NNC2=CC=C(C=C2)C(C)(C)C

>  <Isomeric SMILES>
CC1=C(SN=N1)C(=O)NNC2=CC=C(C=C2)C(C)(C)C

>  <InChI Std. ID>
InChI=1S/C14H18N4OS/c1-9-12(20-18-15-9)13(19)17-16-11-7-5-10(6-8-11)14(2,3)4/h5-8,16H,1-4H3,(H,17,19)

>  <InChI Key>
AMLNHSYELJZRKH-UHFFFAOYSA-N

