methyl 4-[5-(3-bromophenyl)-1,2,4-triazol-1-yl]benzoate

Systemtic Name: methyl 4-[5-(3-bromophenyl)-1,2,4-triazol-1-yl]benzoate Openeye Name: methyl 4-[5-(3-bromophenyl)-1,2,4-triazol-1-yl]benzoate CAS Name: 4-[5-(3-bromophenyl)-1,2,4-triazol-1-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[5-(3-bromophenyl)-1,2,4-triazol-1-yl]benzoate Traditional Name: 4-[5-(3-bromophenyl)-1,2,4-triazol-1-yl]benzoic acid methyl ester Formula: C16H12BrN3O2 MolecularWeight: 358.18938

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)N2C(=NC=N2)C3=CC(=CC=C3)Br

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)N2C(=NC=N2)C3=CC(=CC=C3)Br

InChI

InChI=1S/C16H12BrN3O2/c1-22-16(21)11-5-7-14(8-6-11)20-15(18-10-19-20)12-3-2-4-13(17)9-12/h2-10H,1H3