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

Systemtic Name: 3-[1-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]benzoic acid Openeye Name: 3-[1-(4-isopropylphenyl)-1,2,4-triazol-3-yl]benzoic acid CAS Name: 3-[1-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]benzoic acid IUPAC Name: 3-[1-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]benzoic acid Traditional Name: 3-(1-p-cumenyl-1,2,4-triazol-3-yl)benzoic acid Formula: C18H17N3O2 MolecularWeight: 307.34648

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O2/c1-12(2)13-6-8-16(9-7-13)21-11-19-17(20-21)14-4-3-5-15(10-14)18(22)23/h3-12H,1-2H3,(H,22,23)