N-[[4-(4-bromophenyl)-5-butylsulfanyl-1,2,4-triazol-3-yl]methyl]-2-phenyl-ethanamide

Systemtic Name: N-[[4-(4-bromophenyl)-5-butylsulfanyl-1,2,4-triazol-3-yl]methyl]-2-phenyl-ethanamide Openeye Name: N-[[4-(4-bromophenyl)-5-butylsulfanyl-1,2,4-triazol-3-yl]methyl]-2-phenyl-acetamide CAS Name: N-[[4-(4-bromophenyl)-5-(butylthio)-1,2,4-triazol-3-yl]methyl]-2-phenylacetamide IUPAC Name: N-[[4-(4-bromophenyl)-5-butylsulfanyl-1,2,4-triazol-3-yl]methyl]-2-phenylacetamide Traditional Name: N-[[4-(4-bromophenyl)-5-(butylthio)-1,2,4-triazol-3-yl]methyl]-2-phenyl-acetamide Formula: C21H23BrN4OS MolecularWeight: 459.40252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NN=C(N1C2=CC=C(C=C2)Br)CNC(=O)CC3=CC=CC=C3

Isomeric SMILES

CCCCSC1=NN=C(N1C2=CC=C(C=C2)Br)CNC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C21H23BrN4OS/c1-2-3-13-28-21-25-24-19(26(21)18-11-9-17(22)10-12-18)15-23-20(27)14-16-7-5-4-6-8-16/h4-12H,2-3,13-15H2,1H3,(H,23,27)