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

Systemtic Name: N-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide Openeye Name: N-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-[3-(4-ethoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanamide CAS Name: N-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide IUPAC Name: N-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide Traditional Name: N-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-(3-p-phenetyl-5-thioxo-1H-1,2,4-triazol-4-yl)propionamide Formula: C24H27N5O3S MolecularWeight: 465.56788

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)NC3=CC4=C(C=C3)OC(=N4)C(C)(C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)NC3=CC4=C(C=C3)OC(=N4)C(C)(C)C

InChI

InChI=1S/C24H27N5O3S/c1-5-31-17-9-6-15(7-10-17)21-27-28-23(33)29(21)13-12-20(30)25-16-8-11-19-18(14-16)26-22(32-19)24(2,3)4/h6-11,14H,5,12-13H2,1-4H3,(H,25,30)(H,28,33)