
 CHEMBL597091

 45 46  0  0  0  0  0  0  0  0999 V2000
    4.3961    0.7523    4.3824 C   0  0  0  0  0
    4.0968    0.3437    2.9935 C   0  0  0  0  0
    4.4360   -0.8235    2.3454 C   0  0  0  0  0
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    5.3329   -1.6978   -0.6174 C   0  0  0  0  0
    5.6369   -2.8231   -1.5972 C   0  0  0  0  0
    6.6988   -3.7057   -1.3296 C   0  0  0  0  0
    7.0443   -4.7020   -2.2446 C   0  0  0  0  0
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    6.8105   -0.1185   -1.6699 C   0  0  0  0  0
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    0.0073   -4.6501    1.5432 H   0  0  0  0  0
    1.5992   -5.1084    2.1448 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL597091

>  <PubChem CID>
46231005

>  <Formula>
C17H23ClN2OS

>  <Molecular Weight>
338.894000

>  <IUPAC Name>
1-[1-tert-butylsulfanyl-2-(4-chlorophenyl)-2-methoxyethyl]-4-methylimidazole

>  <XlogP>
4.1

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC1=CN(C=N1)C(C(C2=CC=C(C=C2)Cl)OC)SC(C)(C)C

>  <Isomeric SMILES>
CC1=CN(C=N1)C(C(C2=CC=C(C=C2)Cl)OC)SC(C)(C)C

>  <InChI Std. ID>
InChI=1S/C17H23ClN2OS/c1-12-10-20(11-19-12)16(22-17(2,3)4)15(21-5)13-6-8-14(18)9-7-13/h6-11,15-16H,1-5H3

>  <InChI Key>
AHBQLGGDXGWTBF-UHFFFAOYSA-N

