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

Systemtic Name: 2-[[4-(4-bromophenyl)-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-ethyl-ethanamide Openeye Name: 2-[[4-(4-bromophenyl)-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-ethyl-acetamide CAS Name: 2-[[4-(4-bromophenyl)-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]thio]-N-ethylacetamide IUPAC Name: 2-[[4-(4-bromophenyl)-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-ethylacetamide Traditional Name: 2-[[4-(4-bromophenyl)-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]thio]-N-ethyl-acetamide Formula: C22H25BrN4OS MolecularWeight: 473.4291

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25BrN4OS/c1-5-24-19(28)14-29-21-26-25-20(27(21)18-12-10-17(23)11-13-18)15-6-8-16(9-7-15)22(2,3)4/h6-13H,5,14H2,1-4H3,(H,24,28)