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

Systemtic Name: N-(5-tert-butyl-2-oxidanyl-phenyl)-2-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]ethanamide Openeye Name: N-(5-tert-butyl-2-hydroxy-phenyl)-2-[3-(4-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetamide CAS Name: N-(5-tert-butyl-2-hydroxyphenyl)-2-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]acetamide IUPAC Name: N-(5-tert-butyl-2-hydroxyphenyl)-2-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]acetamide Traditional Name: N-(5-tert-butyl-2-hydroxy-phenyl)-2-[3-(4-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetamide Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C=C1)O)NC(=O)CN2C(=NNC2=S)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)O)NC(=O)CN2C(=NNC2=S)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H24N4O3S/c1-21(2,3)14-7-10-17(26)16(11-14)22-18(27)12-25-19(23-24-20(25)29)13-5-8-15(28-4)9-6-13/h5-11,26H,12H2,1-4H3,(H,22,27)(H,24,29)