
 MLS000052086

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M  END

>  <Chemical Name>
MLS000052086

>  <PubChem CID>
1251408

>  <Formula>
C19H16N4S

>  <Molecular Weight>
332.425000

>  <IUPAC Name>
6-(2,3-dihydroindol-1-ylmethyl)-3-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole

>  <XlogP>
4.6

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CN(C2=CC=CC=C21)CC3=CN4C(=NN=C4S3)C5=CC=CC=C5

>  <Isomeric SMILES>
C1CN(C2=CC=CC=C21)CC3=CN4C(=NN=C4S3)C5=CC=CC=C5

>  <InChI Std. ID>
InChI=1S/C19H16N4S/c1-2-7-15(8-3-1)18-20-21-19-23(18)13-16(24-19)12-22-11-10-14-6-4-5-9-17(14)22/h1-9,13H,10-12H2

>  <InChI Key>
CZEOVHGKEIYKCI-UHFFFAOYSA-N

