C18 H18 N4 O S
XM3
N-(3-{(1R)-1-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethyl}phenyl)benzamide
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
N-(3-{(1R)-1-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethyl...Show more
Formula
Standard InChI
InChI=1S/C18H18N4OS/c1-13(24-18-21-19-12-22(18)2)15-9-6-10-16(11-15)20-17(23)14-7-4-3-5-8-14/h3-13H,1-2H3,(H,20,23)/t13-...Show more
Standard InChI Key
BTJHNHKMMJBRLF-ZDUSSCGKSA-N
SMILES
C[C@@H](c1cccc(c1)NC(=O)c2ccccc2)Sc3nncn3C
Source OpenEye
First observed in
Overall view, and highlighted
scaffolds and fragments ![help icon]()
This image gallery displays several views of the ligand structure:
- Basic Structural Representation: Shows the overall structure of the ligand.
- Detailed Structural Representation: Highlights individual atoms within the ligand.
- Murcko Scaffold: Presents the scaffold of the ligand highlighted in yellow.
- Highlighted Fragments: Displays various ligand fragments, highlighted in yellow.
This image gallery displays several views of the ligand structure:
- Basic Structural Representation: Shows the overall structure of the ligand.
- Detailed Structural Representation: Highlights individual atoms within the ligand.
- Murcko Scaffold: Presents the scaffold of the ligand highlighted in yellow.
- Highlighted Fragments: Displays various ligand fragments, highlighted in yellow.
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