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

Systemtic Name: 3-[1-(2-ethylphenyl)-1,2,4-triazol-3-yl]benzoic acid Openeye Name: 3-[1-(2-ethylphenyl)-1,2,4-triazol-3-yl]benzoic acid CAS Name: 3-[1-(2-ethylphenyl)-1,2,4-triazol-3-yl]benzoic acid IUPAC Name: 3-[1-(2-ethylphenyl)-1,2,4-triazol-3-yl]benzoic acid Traditional Name: 3-[1-(2-ethylphenyl)-1,2,4-triazol-3-yl]benzoic acid Formula: C17H15N3O2 MolecularWeight: 293.3199

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1N2C=NC(=N2)C3=CC(=CC=C3)C(=O)O

Isomeric SMILES

CCC1=CC=CC=C1N2C=NC(=N2)C3=CC(=CC=C3)C(=O)O

InChI

InChI=1S/C17H15N3O2/c1-2-12-6-3-4-9-15(12)20-11-18-16(19-20)13-7-5-8-14(10-13)17(21)22/h3-11H,2H2,1H3,(H,21,22)