2-[1-(4-methylphenyl)-1,2,4-triazol-3-yl]ethanoic acid

Systemtic Name: 2-[1-(4-methylphenyl)-1,2,4-triazol-3-yl]ethanoic acid Openeye Name: 2-[1-(p-tolyl)-1,2,4-triazol-3-yl]acetic acid CAS Name: 2-[1-(4-methylphenyl)-1,2,4-triazol-3-yl]acetic acid IUPAC Name: 2-[1-(4-methylphenyl)-1,2,4-triazol-3-yl]acetic acid Traditional Name: 2-[1-(p-tolyl)-1,2,4-triazol-3-yl]acetic acid Formula: C11H11N3O2 MolecularWeight: 217.22394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C=NC(=N2)CC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)N2C=NC(=N2)CC(=O)O

InChI

InChI=1S/C11H11N3O2/c1-8-2-4-9(5-3-8)14-7-12-10(13-14)6-11(15)16/h2-5,7H,6H2,1H3,(H,15,16)