N-(5-tert-butyl-2-oxidanyl-phenyl)-2-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]ethanamide

Systemtic Name: N-(5-tert-butyl-2-oxidanyl-phenyl)-2-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]ethanamide Openeye Name: N-(5-tert-butyl-2-hydroxy-phenyl)-2-[3-(4-ethoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetamide CAS Name: N-(5-tert-butyl-2-hydroxyphenyl)-2-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]acetamide IUPAC Name: N-(5-tert-butyl-2-hydroxyphenyl)-2-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]acetamide Traditional Name: N-(5-tert-butyl-2-hydroxy-phenyl)-2-(3-p-phenetyl-5-thioxo-1H-1,2,4-triazol-4-yl)acetamide Formula: C22H26N4O3S MolecularWeight: 426.53184

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NNC(=S)N2CC(=O)NC3=C(C=CC(=C3)C(C)(C)C)O

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NNC(=S)N2CC(=O)NC3=C(C=CC(=C3)C(C)(C)C)O

InChI

InChI=1S/C22H26N4O3S/c1-5-29-16-9-6-14(7-10-16)20-24-25-21(30)26(20)13-19(28)23-17-12-15(22(2,3)4)8-11-18(17)27/h6-12,27H,5,13H2,1-4H3,(H,23,28)(H,25,30)