N-(4-ethanoylphenyl)-2-[[5-[[(4-ethoxyphenyl)amino]methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(4-ethanoylphenyl)-2-[[5-[[(4-ethoxyphenyl)amino]methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(4-acetylphenyl)-2-[[5-[(4-ethoxyanilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(4-acetylphenyl)-2-[[5-[(4-ethoxyanilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(4-acetylphenyl)-2-[[5-[(4-ethoxyanilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(4-acetylphenyl)-2-[[4-phenyl-5-(p-phenetidinomethyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C27H27N5O3S MolecularWeight: 501.59998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NCC2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC4=CC=C(C=C4)C(=O)C

Isomeric SMILES

CCOC1=CC=C(C=C1)NCC2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC4=CC=C(C=C4)C(=O)C

InChI

InChI=1S/C27H27N5O3S/c1-3-35-24-15-13-21(14-16-24)28-17-25-30-31-27(32(25)23-7-5-4-6-8-23)36-18-26(34)29-22-11-9-20(10-12-22)19(2)33/h4-16,28H,3,17-18H2,1-2H3,(H,29,34)