2-[[4-(4-bromophenyl)-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-propyl-ethanamide

Systemtic Name: 2-[[4-(4-bromophenyl)-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-propyl-ethanamide Openeye Name: 2-[[4-(4-bromophenyl)-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-propyl-acetamide CAS Name: 2-[[4-(4-bromophenyl)-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]thio]-N-propylacetamide IUPAC Name: 2-[[4-(4-bromophenyl)-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-propylacetamide Traditional Name: 2-[[4-(4-bromophenyl)-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]thio]-N-propyl-acetamide Formula: C23H27BrN4OS MolecularWeight: 487.45568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CSC1=NN=C(N1C2=CC=C(C=C2)Br)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CCCNC(=O)CSC1=NN=C(N1C2=CC=C(C=C2)Br)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C23H27BrN4OS/c1-5-14-25-20(29)15-30-22-27-26-21(28(22)19-12-10-18(24)11-13-19)16-6-8-17(9-7-16)23(2,3)4/h6-13H,5,14-15H2,1-4H3,(H,25,29)