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

Systemtic Name: N-[5-(3-bromophenyl)-1H-1,2,4-triazol-3-yl]cyclobutanecarboxamide Openeye Name: N-[5-(3-bromophenyl)-1H-1,2,4-triazol-3-yl]cyclobutanecarboxamide CAS Name: N-[5-(3-bromophenyl)-1H-1,2,4-triazol-3-yl]cyclobutanecarboxamide IUPAC Name: N-[5-(3-bromophenyl)-1H-1,2,4-triazol-3-yl]cyclobutanecarboxamide Traditional Name: N-[5-(3-bromophenyl)-1H-1,2,4-triazol-3-yl]cyclobutanecarboxamide Formula: C13H13BrN4O MolecularWeight: 321.17252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)C(=O)NC2=NNC(=N2)C3=CC(=CC=C3)Br

Isomeric SMILES

C1CC(C1)C(=O)NC2=NNC(=N2)C3=CC(=CC=C3)Br

InChI

InChI=1S/C13H13BrN4O/c14-10-6-2-5-9(7-10)11-15-13(18-17-11)16-12(19)8-3-1-4-8/h2,5-8H,1,3-4H2,(H2,15,16,17,18,19)