ethyl 2-[3-(4-tert-butylphenyl)-1H-1,2,4-triazol-5-yl]ethanoate

Systemtic Name: ethyl 2-[3-(4-tert-butylphenyl)-1H-1,2,4-triazol-5-yl]ethanoate Openeye Name: ethyl 2-[3-(4-tert-butylphenyl)-1H-1,2,4-triazol-5-yl]acetate CAS Name: 2-[3-(4-tert-butylphenyl)-1H-1,2,4-triazol-5-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-(4-tert-butylphenyl)-1H-1,2,4-triazol-5-yl]acetate Traditional Name: 2-[3-(4-tert-butylphenyl)-1H-1,2,4-triazol-5-yl]acetic acid ethyl ester Formula: C16H21N3O2 MolecularWeight: 287.35684

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=NC(=NN1)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CCOC(=O)CC1=NC(=NN1)C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C16H21N3O2/c1-5-21-14(20)10-13-17-15(19-18-13)11-6-8-12(9-7-11)16(2,3)4/h6-9H,5,10H2,1-4H3,(H,17,18,19)