5-(3-fluoranyl-4-methyl-phenyl)-1-(6-methoxypyridin-3-yl)-1,2,4-triazole-3-carboxylic acid

Systemtic Name: 5-(3-fluoranyl-4-methyl-phenyl)-1-(6-methoxypyridin-3-yl)-1,2,4-triazole-3-carboxylic acid Openeye Name: 5-(3-fluoro-4-methyl-phenyl)-1-(6-methoxy-3-pyridyl)-1,2,4-triazole-3-carboxylic acid CAS Name: 5-(3-fluoro-4-methylphenyl)-1-(6-methoxy-3-pyridinyl)-1,2,4-triazole-3-carboxylic acid IUPAC Name: 5-(3-fluoro-4-methylphenyl)-1-(6-methoxypyridin-3-yl)-1,2,4-triazole-3-carboxylic acid Traditional Name: 5-(3-fluoro-4-methyl-phenyl)-1-(6-methoxy-3-pyridyl)-1,2,4-triazole-3-carboxylic acid Formula: C16H13FN4O3 MolecularWeight: 328.297823

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NC(=NN2C3=CN=C(C=C3)OC)C(=O)O)F

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC(=NN2C3=CN=C(C=C3)OC)C(=O)O)F

InChI

InChI=1S/C16H13FN4O3/c1-9-3-4-10(7-12(9)17)15-19-14(16(22)23)20-21(15)11-5-6-13(24-2)18-8-11/h3-8H,1-2H3,(H,22,23)