2-(3-bromanylphenoxy)ethyl 1,5-diphenyl-1,2,4-triazole-3-carboxylate

Systemtic Name: 2-(3-bromanylphenoxy)ethyl 1,5-diphenyl-1,2,4-triazole-3-carboxylate Openeye Name: 2-(3-bromophenoxy)ethyl 1,5-diphenyl-1,2,4-triazole-3-carboxylate CAS Name: 1,5-diphenyl-1,2,4-triazole-3-carboxylic acid 2-(3-bromophenoxy)ethyl ester IUPAC Name: 2-(3-bromophenoxy)ethyl 1,5-diphenyl-1,2,4-triazole-3-carboxylate Traditional Name: 1,5-diphenyl-1,2,4-triazole-3-carboxylic acid 2-(3-bromophenoxy)ethyl ester Formula: C23H18BrN3O3 MolecularWeight: 464.31132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=NN2C3=CC=CC=C3)C(=O)OCCOC4=CC(=CC=C4)Br

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=NN2C3=CC=CC=C3)C(=O)OCCOC4=CC(=CC=C4)Br

InChI

InChI=1S/C23H18BrN3O3/c24-18-10-7-13-20(16-18)29-14-15-30-23(28)21-25-22(17-8-3-1-4-9-17)27(26-21)19-11-5-2-6-12-19/h1-13,16H,14-15H2