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

Systemtic Name: 2-[[5-(4-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-pentan-3-yl-ethanamide Openeye Name: 2-[[5-(4-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(1-ethylpropyl)acetamide CAS Name: 2-[[5-(4-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]-N-pentan-3-ylacetamide IUPAC Name: 2-[[5-(4-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-pentan-3-ylacetamide Traditional Name: 2-[[5-(4-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]-N-(1-ethylpropyl)acetamide Formula: C15H19BrN4OS MolecularWeight: 383.30656

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)CSC1=NNC(=N1)C2=CC=C(C=C2)Br

Isomeric SMILES

CCC(CC)NC(=O)CSC1=NNC(=N1)C2=CC=C(C=C2)Br

InChI

InChI=1S/C15H19BrN4OS/c1-3-12(4-2)17-13(21)9-22-15-18-14(19-20-15)10-5-7-11(16)8-6-10/h5-8,12H,3-4,9H2,1-2H3,(H,17,21)(H,18,19,20)