(4-propanoylphenyl) 1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxylate

Systemtic Name: (4-propanoylphenyl) 1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxylate Openeye Name: (4-propanoylphenyl) 1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxylate CAS Name: 1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxylic acid [4-(1-oxopropyl)phenyl] ester IUPAC Name: (4-propanoylphenyl) 1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxylate Traditional Name: 1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxylic acid (4-propionylphenyl) ester Formula: C19H16FN3O3 MolecularWeight: 353.347043

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC=C(C=C1)OC(=O)C2=NN(C(=N2)C)C3=CC=C(C=C3)F

Isomeric SMILES

CCC(=O)C1=CC=C(C=C1)OC(=O)C2=NN(C(=N2)C)C3=CC=C(C=C3)F

InChI

InChI=1S/C19H16FN3O3/c1-3-17(24)13-4-10-16(11-5-13)26-19(25)18-21-12(2)23(22-18)15-8-6-14(20)7-9-15/h4-11H,3H2,1-2H3