N-[4-bromanyl-3-(trifluoromethyl)phenyl]-1-(phenylmethyl)-1,2,3-triazole-4-carboxamide

Systemtic Name: N-[4-bromanyl-3-(trifluoromethyl)phenyl]-1-(phenylmethyl)-1,2,3-triazole-4-carboxamide Openeye Name: 1-benzyl-N-[4-bromo-3-(trifluoromethyl)phenyl]triazole-4-carboxamide CAS Name: N-[4-bromo-3-(trifluoromethyl)phenyl]-1-(phenylmethyl)-4-triazolecarboxamide IUPAC Name: 1-benzyl-N-[4-bromo-3-(trifluoromethyl)phenyl]triazole-4-carboxamide Traditional Name: 1-benzyl-N-[4-bromo-3-(trifluoromethyl)phenyl]triazole-4-carboxamide Formula: C17H12BrF3N4O MolecularWeight: 425.20259

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(N=N2)C(=O)NC3=CC(=C(C=C3)Br)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(N=N2)C(=O)NC3=CC(=C(C=C3)Br)C(F)(F)F

InChI

InChI=1S/C17H12BrF3N4O/c18-14-7-6-12(8-13(14)17(19,20)21)22-16(26)15-10-25(24-23-15)9-11-4-2-1-3-5-11/h1-8,10H,9H2,(H,22,26)