3-[1-(4-phenylphenyl)-1,2,4-triazol-3-yl]benzoic acid

Systemtic Name: 3-[1-(4-phenylphenyl)-1,2,4-triazol-3-yl]benzoic acid Openeye Name: 3-[1-(4-phenylphenyl)-1,2,4-triazol-3-yl]benzoic acid CAS Name: 3-[1-(4-phenylphenyl)-1,2,4-triazol-3-yl]benzoic acid IUPAC Name: 3-[1-(4-phenylphenyl)-1,2,4-triazol-3-yl]benzoic acid Traditional Name: 3-[1-(4-phenylphenyl)-1,2,4-triazol-3-yl]benzoic acid Formula: C21H15N3O2 MolecularWeight: 341.3627

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)N3C=NC(=N3)C4=CC(=CC=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)N3C=NC(=N3)C4=CC(=CC=C4)C(=O)O

InChI

InChI=1S/C21H15N3O2/c25-21(26)18-8-4-7-17(13-18)20-22-14-24(23-20)19-11-9-16(10-12-19)15-5-2-1-3-6-15/h1-14H,(H,25,26)