N-[2-(4-tert-butylphenoxy)ethyl]-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-[2-(4-tert-butylphenoxy)ethyl]-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-[2-(4-tert-butylphenoxy)ethyl]-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-[2-(4-tert-butylphenoxy)ethyl]-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-[2-(4-tert-butylphenoxy)ethyl]-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-[2-(4-tert-butylphenoxy)ethyl]-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]acetamide Formula: C22H26N4O2S MolecularWeight: 410.53244

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCCNC(=O)CSC2=NNC(=N2)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCCNC(=O)CSC2=NNC(=N2)C3=CC=CC=C3

InChI

InChI=1S/C22H26N4O2S/c1-22(2,3)17-9-11-18(12-10-17)28-14-13-23-19(27)15-29-21-24-20(25-26-21)16-7-5-4-6-8-16/h4-12H,13-15H2,1-3H3,(H,23,27)(H,24,25,26)