2-[5-[(4-tert-butylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]-N-(2-thiophen-2-ylethyl)ethanamide

Systemtic Name: 2-[5-[(4-tert-butylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]-N-(2-thiophen-2-ylethyl)ethanamide Openeye Name: 2-[5-[(4-tert-butylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]-N-[2-(2-thienyl)ethyl]acetamide CAS Name: 2-[5-[(4-tert-butylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]-N-(2-thiophen-2-ylethyl)acetamide IUPAC Name: 2-[5-[(4-tert-butylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]-N-(2-thiophen-2-ylethyl)acetamide Traditional Name: 2-[5-[(4-tert-butylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]-N-[2-(2-thienyl)ethyl]acetamide Formula: C21H26N4O2S MolecularWeight: 398.52174

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCC2=NC(=NN2)CC(=O)NCCC3=CC=CS3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCC2=NC(=NN2)CC(=O)NCCC3=CC=CS3

InChI

InChI=1S/C21H26N4O2S/c1-21(2,3)15-6-8-16(9-7-15)27-14-19-23-18(24-25-19)13-20(26)22-11-10-17-5-4-12-28-17/h4-9,12H,10-11,13-14H2,1-3H3,(H,22,26)(H,23,24,25)