
 ASN 02563583

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M  END

>  <Chemical Name>
ASN 02563583

>  <PubChem CID>
3167869

>  <Formula>
C25H24N4O3S

>  <Molecular Weight>
460.552000

>  <IUPAC Name>
2-[[5-(2-methoxyphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylpropanamide

>  <XlogP>
4.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC(C(=O)NC1=CC=CC=C1)SC2=NN=C(N2C3=CC=C(C=C3)OC)C4=CC=CC=C4OC

>  <Isomeric SMILES>
CC(C(=O)NC1=CC=CC=C1)SC2=NN=C(N2C3=CC=C(C=C3)OC)C4=CC=CC=C4OC

>  <InChI Std. ID>
InChI=1S/C25H24N4O3S/c1-17(24(30)26-18-9-5-4-6-10-18)33-25-28-27-23(21-11-7-8-12-22(21)32-3)29(25)19-13-15-20(31-2)16-14-19/h4-17H,1-3H3,(H,26,30)

>  <InChI Key>
KGGHSILNBGUJEN-UHFFFAOYSA-N

