
 MLS001163538

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M  END

>  <Chemical Name>
MLS001163538

>  <PubChem CID>
1328217

>  <Formula>
C24H21N3O4S2

>  <Molecular Weight>
479.569000

>  <IUPAC Name>
3-[(5E)-5-[[3-(4-methoxy-2-methylphenyl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid

>  <XlogP>
4.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CC1=C(C=CC(=C1)OC)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)CCC(=O)O)C4=CC=CC=C4

>  <Isomeric SMILES>
CC1=C(C=CC(=C1)OC)C2=NN(C=C2/C=C/3\C(=O)N(C(=S)S3)CCC(=O)O)C4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C24H21N3O4S2/c1-15-12-18(31-2)8-9-19(15)22-16(14-27(25-22)17-6-4-3-5-7-17)13-20-23(30)26(24(32)33-20)11-10-21(28)29/h3-9,12-14H,10-11H2,1-2H3,(H,28,29)/b20-13+

>  <InChI Key>
CNMBEYAZXFHTTF-DEDYPNTBSA-N

