5-(6-methoxypyridin-3-yl)-1-(4-methylphenyl)-1,2,4-triazole-3-carboxylic acid

Systemtic Name: 5-(6-methoxypyridin-3-yl)-1-(4-methylphenyl)-1,2,4-triazole-3-carboxylic acid Openeye Name: 5-(6-methoxy-3-pyridyl)-1-(p-tolyl)-1,2,4-triazole-3-carboxylic acid CAS Name: 5-(6-methoxy-3-pyridinyl)-1-(4-methylphenyl)-1,2,4-triazole-3-carboxylic acid IUPAC Name: 5-(6-methoxypyridin-3-yl)-1-(4-methylphenyl)-1,2,4-triazole-3-carboxylic acid Traditional Name: 5-(6-methoxy-3-pyridyl)-1-(p-tolyl)-1,2,4-triazole-3-carboxylic acid Formula: C16H14N4O3 MolecularWeight: 310.30736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NC(=N2)C(=O)O)C3=CN=C(C=C3)OC

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NC(=N2)C(=O)O)C3=CN=C(C=C3)OC

InChI

InChI=1S/C16H14N4O3/c1-10-3-6-12(7-4-10)20-15(18-14(19-20)16(21)22)11-5-8-13(23-2)17-9-11/h3-9H,1-2H3,(H,21,22)