
 cis-Piflutixol

 56 59  0  0  0  0  0  0  0  0999 V2000
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    1.1521   -2.7518   -1.7772 H   0  0  0  0  0
    1.6660   -3.5278   -0.2865 H   0  0  0  0  0
    0.1181   -1.6357    0.0985 H   0  0  0  0  0
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    1.0758   -5.1125   -2.1725 H   0  0  0  0  0
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  1  6  1  0  0  0
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M  END

>  <Chemical Name>
cis-Piflutixol

>  <PubChem CID>
5311360

>  <Formula>
C24H25F4NOS

>  <Molecular Weight>
451.524000

>  <IUPAC Name>
2-[1-[(3Z)-3-[6-fluoro-2-(trifluoromethyl)thioxanthen-9-ylidene]propyl]piperidin-4-yl]ethanol

>  <XlogP>
5.900

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
C1CN(CCC1CCO)CCC=C2C3=C(C=C(C=C3)F)SC4=C2C=C(C=C4)C(F)(F)F

>  <Isomeric SMILES>
C1CN(CCC1CCO)CC/C=C\2/C3=C(C=C(C=C3)F)SC4=C2C=C(C=C4)C(F)(F)F

>  <InChI Std. ID>
InChI=1S/C24H25F4NOS/c25-18-4-5-20-19(2-1-10-29-11-7-16(8-12-29)9-13-30)21-14-17(24(26,27)28)3-6-22(21)31-23(20)15-18/h2-6,14-16,30H,1,7-13H2/b19-2-

>  <InChI Key>
CCUOZZURYIZOKX-UYKKPYKBSA-N

