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

Systemtic Name: phenyl 4-[(3,5-diphenyl-1,2,4-triazol-4-yl)methyl]benzoate Openeye Name: phenyl 4-[(3,5-diphenyl-1,2,4-triazol-4-yl)methyl]benzoate CAS Name: 4-[(3,5-diphenyl-1,2,4-triazol-4-yl)methyl]benzoic acid phenyl ester IUPAC Name: phenyl 4-[(3,5-diphenyl-1,2,4-triazol-4-yl)methyl]benzoate Traditional Name: 4-[(3,5-diphenyl-1,2,4-triazol-4-yl)methyl]benzoic acid phenyl ester Formula: C28H21N3O2 MolecularWeight: 431.48524

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN=C(N2CC3=CC=C(C=C3)C(=O)OC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C2=NN=C(N2CC3=CC=C(C=C3)C(=O)OC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H21N3O2/c32-28(33-25-14-8-3-9-15-25)24-18-16-21(17-19-24)20-31-26(22-10-4-1-5-11-22)29-30-27(31)23-12-6-2-7-13-23/h1-19H,20H2