ethyl 4-tert-butyl-2,3-diphenyl-3H-1,2,4-triazole-5-carboxylate

Systemtic Name: ethyl 4-tert-butyl-2,3-diphenyl-3H-1,2,4-triazole-5-carboxylate Openeye Name: ethyl 4-tert-butyl-2,3-diphenyl-3H-1,2,4-triazole-5-carboxylate CAS Name: 4-tert-butyl-2,3-diphenyl-3H-1,2,4-triazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-tert-butyl-2,3-diphenyl-3H-1,2,4-triazole-5-carboxylate Traditional Name: 4-tert-butyl-2,3-diphenyl-3H-1,2,4-triazole-5-carboxylic acid ethyl ester Formula: C21H25N3O2 MolecularWeight: 351.4421

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(N1C(C)(C)C)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=NN(C(N1C(C)(C)C)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H25N3O2/c1-5-26-20(25)18-22-24(17-14-10-7-11-15-17)19(23(18)21(2,3)4)16-12-8-6-9-13-16/h6-15,19H,5H2,1-4H3