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

Systemtic Name: 2-[[5-[(4-tert-butylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[5-[(4-tert-butylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: 2-[[5-[(4-tert-butylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[[5-[(4-tert-butylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[5-[(4-tert-butylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]acetamide Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCC2=NN=C(N2C3=CC=CC=C3)SCC(=O)N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCC2=NN=C(N2C3=CC=CC=C3)SCC(=O)N

InChI

InChI=1S/C21H24N4O2S/c1-21(2,3)15-9-11-17(12-10-15)27-13-19-23-24-20(28-14-18(22)26)25(19)16-7-5-4-6-8-16/h4-12H,13-14H2,1-3H3,(H2,22,26)