methyl 3-(2,6-diethylphenyl)-5-(phenylcarbonyl)-1,2,3-triazole-4-carboxylate

Systemtic Name: methyl 3-(2,6-diethylphenyl)-5-(phenylcarbonyl)-1,2,3-triazole-4-carboxylate Openeye Name: methyl 5-benzoyl-3-(2,6-diethylphenyl)triazole-4-carboxylate CAS Name: 5-benzoyl-3-(2,6-diethylphenyl)-4-triazolecarboxylic acid methyl ester IUPAC Name: methyl 5-benzoyl-3-(2,6-diethylphenyl)triazole-4-carboxylate Traditional Name: 5-benzoyl-3-(2,6-diethylphenyl)triazole-4-carboxylic acid methyl ester Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)N2C(=C(N=N2)C(=O)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)N2C(=C(N=N2)C(=O)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C21H21N3O3/c1-4-14-12-9-13-15(5-2)18(14)24-19(21(26)27-3)17(22-23-24)20(25)16-10-7-6-8-11-16/h6-13H,4-5H2,1-3H3