5-(3-methyl-5-pyridin-4-yl-1,2,4-triazol-4-yl)-1-phenyl-pyrazole-4-carboxylic acid

Systemtic Name: 5-(3-methyl-5-pyridin-4-yl-1,2,4-triazol-4-yl)-1-phenyl-pyrazole-4-carboxylic acid Openeye Name: 5-[3-methyl-5-(4-pyridyl)-1,2,4-triazol-4-yl]-1-phenyl-pyrazole-4-carboxylic acid CAS Name: 5-(3-methyl-5-pyridin-4-yl-1,2,4-triazol-4-yl)-1-phenyl-4-pyrazolecarboxylic acid IUPAC Name: 5-(3-methyl-5-pyridin-4-yl-1,2,4-triazol-4-yl)-1-phenylpyrazole-4-carboxylic acid Traditional Name: 5-[3-methyl-5-(4-pyridyl)-1,2,4-triazol-4-yl]-1-phenyl-pyrazole-4-carboxylic acid Formula: C18H14N6O2 MolecularWeight: 346.34276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=C(C=NN2C3=CC=CC=C3)C(=O)O)C4=CC=NC=C4

Isomeric SMILES

CC1=NN=C(N1C2=C(C=NN2C3=CC=CC=C3)C(=O)O)C4=CC=NC=C4

InChI

InChI=1S/C18H14N6O2/c1-12-21-22-16(13-7-9-19-10-8-13)23(12)17-15(18(25)26)11-20-24(17)14-5-3-2-4-6-14/h2-11H,1H3,(H,25,26)