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

Systemtic Name: N-(5-tert-butyl-2-oxidanyl-phenyl)-3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide Openeye Name: N-(5-tert-butyl-2-hydroxy-phenyl)-3-[3-(4-ethoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanamide CAS Name: N-(5-tert-butyl-2-hydroxyphenyl)-3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide IUPAC Name: N-(5-tert-butyl-2-hydroxyphenyl)-3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide Traditional Name: N-(5-tert-butyl-2-hydroxy-phenyl)-3-(3-p-phenetyl-5-thioxo-1H-1,2,4-triazol-4-yl)propionamide Formula: C23H28N4O3S MolecularWeight: 440.55842

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)NC3=C(C=CC(=C3)C(C)(C)C)O

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)NC3=C(C=CC(=C3)C(C)(C)C)O

InChI

InChI=1S/C23H28N4O3S/c1-5-30-17-9-6-15(7-10-17)21-25-26-22(31)27(21)13-12-20(29)24-18-14-16(23(2,3)4)8-11-19(18)28/h6-11,14,28H,5,12-13H2,1-4H3,(H,24,29)(H,26,31)