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

Systemtic Name: 5-[3-(cyanomethyl)-5-methyl-1,2,4-triazol-4-yl]-1-phenyl-pyrazole-4-carboxylic acid Openeye Name: 5-[3-(cyanomethyl)-5-methyl-1,2,4-triazol-4-yl]-1-phenyl-pyrazole-4-carboxylic acid CAS Name: 5-[3-(cyanomethyl)-5-methyl-1,2,4-triazol-4-yl]-1-phenyl-4-pyrazolecarboxylic acid IUPAC Name: 5-[3-(cyanomethyl)-5-methyl-1,2,4-triazol-4-yl]-1-phenylpyrazole-4-carboxylic acid Traditional Name: 5-[3-(cyanomethyl)-5-methyl-1,2,4-triazol-4-yl]-1-phenyl-pyrazole-4-carboxylic acid Formula: C15H12N6O2 MolecularWeight: 308.29478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=C(C=NN2C3=CC=CC=C3)C(=O)O)CC#N

Isomeric SMILES

CC1=NN=C(N1C2=C(C=NN2C3=CC=CC=C3)C(=O)O)CC#N

InChI

InChI=1S/C15H12N6O2/c1-10-18-19-13(7-8-16)20(10)14-12(15(22)23)9-17-21(14)11-5-3-2-4-6-11/h2-6,9H,7H2,1H3,(H,22,23)