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

Systemtic Name: methyl 1-(2,6-diethylphenyl)-5-(trichloromethyl)-1,2,4-triazole-3-carboxylate Openeye Name: methyl 1-(2,6-diethylphenyl)-5-(trichloromethyl)-1,2,4-triazole-3-carboxylate CAS Name: 1-(2,6-diethylphenyl)-5-(trichloromethyl)-1,2,4-triazole-3-carboxylic acid methyl ester IUPAC Name: methyl 1-(2,6-diethylphenyl)-5-(trichloromethyl)-1,2,4-triazole-3-carboxylate Traditional Name: 1-(2,6-diethylphenyl)-5-(trichloromethyl)-1,2,4-triazole-3-carboxylic acid methyl ester Formula: C15H16Cl3N3O2 MolecularWeight: 376.66544

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)N2C(=NC(=N2)C(=O)OC)C(Cl)(Cl)Cl

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)N2C(=NC(=N2)C(=O)OC)C(Cl)(Cl)Cl

InChI

InChI=1S/C15H16Cl3N3O2/c1-4-9-7-6-8-10(5-2)11(9)21-14(15(16,17)18)19-12(20-21)13(22)23-3/h6-8H,4-5H2,1-3H3