2-[3-(5-bromanylpyridin-3-yl)-1H-1,2,4-triazol-5-yl]-N-phenethyl-ethanamide

Systemtic Name: 2-[3-(5-bromanylpyridin-3-yl)-1H-1,2,4-triazol-5-yl]-N-phenethyl-ethanamide Openeye Name: 2-[3-(5-bromo-3-pyridyl)-1H-1,2,4-triazol-5-yl]-N-phenethyl-acetamide CAS Name: 2-[3-(5-bromo-3-pyridinyl)-1H-1,2,4-triazol-5-yl]-N-phenethylacetamide IUPAC Name: 2-[3-(5-bromopyridin-3-yl)-1H-1,2,4-triazol-5-yl]-N-phenethylacetamide Traditional Name: 2-[3-(5-bromo-3-pyridyl)-1H-1,2,4-triazol-5-yl]-N-phenethyl-acetamide Formula: C17H16BrN5O MolecularWeight: 386.24584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)CC2=NC(=NN2)C3=CC(=CN=C3)Br

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)CC2=NC(=NN2)C3=CC(=CN=C3)Br

InChI

InChI=1S/C17H16BrN5O/c18-14-8-13(10-19-11-14)17-21-15(22-23-17)9-16(24)20-7-6-12-4-2-1-3-5-12/h1-5,8,10-11H,6-7,9H2,(H,20,24)(H,21,22,23)