
 MLS000584397

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M  END

>  <Chemical Name>
MLS000584397

>  <PubChem CID>
12005182

>  <Formula>
C19H20N2OS2

>  <Molecular Weight>
356.502000

>  <IUPAC Name>
(5E)-3-prop-2-enyl-2-sulfanylidene-5-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]-1,3-thiazolidin-4-one

>  <XlogP>
5.0

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1(C2=CC=CC=C2N(C1=CC=C3C(=O)N(C(=S)S3)CC=C)C)C

>  <Isomeric SMILES>
CC\1(C2=CC=CC=C2N(/C1=C/C=C/3\C(=O)N(C(=S)S3)CC=C)C)C

>  <InChI Std. ID>
InChI=1S/C19H20N2OS2/c1-5-12-21-17(22)15(24-18(21)23)10-11-16-19(2,3)13-8-6-7-9-14(13)20(16)4/h5-11H,1,12H2,2-4H3/b15-10+,16-11+

>  <InChI Key>
BNRSQCUOPLBUHF-RWPWKDLBSA-N

