2-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-N-phenethyl-propanamide

Systemtic Name: 2-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-N-phenethyl-propanamide Openeye Name: 2-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-N-phenethyl-propanamide CAS Name: 2-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylthio]-N-phenethylpropanamide IUPAC Name: 2-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-N-phenethylpropanamide Traditional Name: 2-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylthio]-N-phenethyl-propionamide Formula: C20H20ClN3O2S MolecularWeight: 401.9097

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CC=CC=C1)SCC2=NC(=NO2)C3=CC(=CC=C3)Cl

Isomeric SMILES

CC(C(=O)NCCC1=CC=CC=C1)SCC2=NC(=NO2)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C20H20ClN3O2S/c1-14(20(25)22-11-10-15-6-3-2-4-7-15)27-13-18-23-19(24-26-18)16-8-5-9-17(21)12-16/h2-9,12,14H,10-11,13H2,1H3,(H,22,25)