(4-bromophenyl)methyl 4-(1,2,4-triazol-1-yl)benzoate

Systemtic Name: (4-bromophenyl)methyl 4-(1,2,4-triazol-1-yl)benzoate Openeye Name: (4-bromophenyl)methyl 4-(1,2,4-triazol-1-yl)benzoate CAS Name: 4-(1,2,4-triazol-1-yl)benzoic acid (4-bromophenyl)methyl ester IUPAC Name: (4-bromophenyl)methyl 4-(1,2,4-triazol-1-yl)benzoate Traditional Name: 4-(1,2,4-triazol-1-yl)benzoic acid (4-bromobenzyl) ester Formula: C16H12BrN3O2 MolecularWeight: 358.18938

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1COC(=O)C2=CC=C(C=C2)N3C=NC=N3)Br

Isomeric SMILES

C1=CC(=CC=C1COC(=O)C2=CC=C(C=C2)N3C=NC=N3)Br

InChI

InChI=1S/C16H12BrN3O2/c17-14-5-1-12(2-6-14)9-22-16(21)13-3-7-15(8-4-13)20-11-18-10-19-20/h1-8,10-11H,9H2