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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C=C1)O)NC(=O)CCN2C(=NNC2=S)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)O)NC(=O)CCN2C(=NNC2=S)C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H26N4O3S/c1-22(2,3)15-7-10-18(27)17(13-15)23-19(28)11-12-26-20(24-25-21(26)30)14-5-8-16(29-4)9-6-14/h5-10,13,27H,11-12H2,1-4H3,(H,23,28)(H,25,30)