2-[[5-(4-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-ethyl-N-phenyl-ethanamide

Systemtic Name: 2-[[5-(4-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-ethyl-N-phenyl-ethanamide Openeye Name: 2-[[5-(4-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-ethyl-N-phenyl-acetamide CAS Name: 2-[[5-(4-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]-N-ethyl-N-phenylacetamide IUPAC Name: 2-[[5-(4-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-ethyl-N-phenylacetamide Traditional Name: 2-[[5-(4-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]-N-ethyl-N-phenyl-acetamide Formula: C18H17BrN4OS MolecularWeight: 417.32278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1)C(=O)CSC2=NNC(=N2)C3=CC=C(C=C3)Br

Isomeric SMILES

CCN(C1=CC=CC=C1)C(=O)CSC2=NNC(=N2)C3=CC=C(C=C3)Br

InChI

InChI=1S/C18H17BrN4OS/c1-2-23(15-6-4-3-5-7-15)16(24)12-25-18-20-17(21-22-18)13-8-10-14(19)11-9-13/h3-11H,2,12H2,1H3,(H,20,21,22)