3-[[4-(trifluoromethylsulfanyl)phenyl]methylamino]propanamide

Systemtic Name: 3-[[4-(trifluoromethylsulfanyl)phenyl]methylamino]propanamide Openeye Name: 3-[[4-(trifluoromethylsulfanyl)phenyl]methylamino]propanamide CAS Name: 3-[[4-(trifluoromethylthio)phenyl]methylamino]propanamide IUPAC Name: 3-[[4-(trifluoromethylsulfanyl)phenyl]methylamino]propanamide Traditional Name: 3-[[4-(trifluoromethylthio)benzyl]amino]propionamide Formula: C11H13F3N2OS MolecularWeight: 278.29393

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNCCC(=O)N)SC(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1CNCCC(=O)N)SC(F)(F)F

InChI

InChI=1S/C11H13F3N2OS/c12-11(13,14)18-9-3-1-8(2-4-9)7-16-6-5-10(15)17/h1-4,16H,5-7H2,(H2,15,17)