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

Systemtic Name: 2-(4-tert-butylphenoxy)-N-[3-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]ethanamide Openeye Name: N-(3-benzylsulfanyl-5-methyl-1,2,4-triazol-4-yl)-2-(4-tert-butylphenoxy)acetamide CAS Name: 2-(4-tert-butylphenoxy)-N-[3-methyl-5-(phenylmethylthio)-1,2,4-triazol-4-yl]acetamide IUPAC Name: N-(3-benzylsulfanyl-5-methyl-1,2,4-triazol-4-yl)-2-(4-tert-butylphenoxy)acetamide Traditional Name: N-[3-(benzylthio)-5-methyl-1,2,4-triazol-4-yl]-2-(4-tert-butylphenoxy)acetamide Formula: C22H26N4O2S MolecularWeight: 410.53244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1NC(=O)COC2=CC=C(C=C2)C(C)(C)C)SCC3=CC=CC=C3

Isomeric SMILES

CC1=NN=C(N1NC(=O)COC2=CC=C(C=C2)C(C)(C)C)SCC3=CC=CC=C3

InChI

InChI=1S/C22H26N4O2S/c1-16-23-24-21(29-15-17-8-6-5-7-9-17)26(16)25-20(27)14-28-19-12-10-18(11-13-19)22(2,3)4/h5-13H,14-15H2,1-4H3,(H,25,27)