3-[1-[4-(4-propan-2-ylphenyl)phenyl]-1,2,4-triazol-3-yl]benzoic acid

Systemtic Name: 3-[1-[4-(4-propan-2-ylphenyl)phenyl]-1,2,4-triazol-3-yl]benzoic acid Openeye Name: 3-[1-[4-(4-isopropylphenyl)phenyl]-1,2,4-triazol-3-yl]benzoic acid CAS Name: 3-[1-[4-(4-propan-2-ylphenyl)phenyl]-1,2,4-triazol-3-yl]benzoic acid IUPAC Name: 3-[1-[4-(4-propan-2-ylphenyl)phenyl]-1,2,4-triazol-3-yl]benzoic acid Traditional Name: 3-[1-(4-p-cumenylphenyl)-1,2,4-triazol-3-yl]benzoic acid Formula: C24H21N3O2 MolecularWeight: 383.44244

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H21N3O2/c1-16(2)17-6-8-18(9-7-17)19-10-12-22(13-11-19)27-15-25-23(26-27)20-4-3-5-21(14-20)24(28)29/h3-16H,1-2H3,(H,28,29)