2-[[5-(2-bromophenyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-butyl-ethanamide

Systemtic Name: 2-[[5-(2-bromophenyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-butyl-ethanamide Openeye Name: 2-[[4-benzyl-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-butyl-acetamide CAS Name: 2-[[5-(2-bromophenyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-N-butylacetamide IUPAC Name: 2-[[4-benzyl-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-butylacetamide Traditional Name: 2-[[4-benzyl-5-(2-bromophenyl)-1,2,4-triazol-3-yl]thio]-N-butyl-acetamide Formula: C21H23BrN4OS MolecularWeight: 459.40252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CSC1=NN=C(N1CC2=CC=CC=C2)C3=CC=CC=C3Br

Isomeric SMILES

CCCCNC(=O)CSC1=NN=C(N1CC2=CC=CC=C2)C3=CC=CC=C3Br

InChI

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