
 CID 77140346

 61 64  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CID 77140346

>  <PubChem CID>
77140346

>  <Formula>
C29H28ClNOS

>  <Molecular Weight>
474.059000

>  <IUPAC Name>
2-[2-[3-[3-[2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-sulfanylpropyl]phenyl]propan-2-ol

>  <XlogP>
7.3

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC(C)(C1=CC=CC=C1CCC(C2=CC=CC(=C2)C=CC3=NC4=C(C=CC(=C4)Cl)C=C3)S)O

>  <Isomeric SMILES>
CC(C)(C1=CC=CC=C1CCC(C2=CC=CC(=C2)C=CC3=NC4=C(C=CC(=C4)Cl)C=C3)S)O

>  <InChI Std. ID>
InChI=1S/C29H28ClNOS/c1-29(2,32)26-9-4-3-7-21(26)13-17-28(33)23-8-5-6-20(18-23)10-15-25-16-12-22-11-14-24(30)19-27(22)31-25/h3-12,14-16,18-19,28,32-33H,13,17H2,1-2H3

>  <InChI Key>
WZQJFYIKVBTOGT-UHFFFAOYSA-N

