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

Systemtic Name: N-(4-ethanoylphenyl)-2-[[4-ethyl-5-[[(4-methylphenyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(4-acetylphenyl)-2-[[4-ethyl-5-[(4-methylanilino)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(4-acetylphenyl)-2-[[4-ethyl-5-[(4-methylanilino)methyl]-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(4-acetylphenyl)-2-[[4-ethyl-5-[(4-methylanilino)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(4-acetylphenyl)-2-[[4-ethyl-5-(p-toluidinomethyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C22H25N5O2S MolecularWeight: 423.5312

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)C)CNC3=CC=C(C=C3)C

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)C)CNC3=CC=C(C=C3)C

InChI

InChI=1S/C22H25N5O2S/c1-4-27-20(13-23-18-9-5-15(2)6-10-18)25-26-22(27)30-14-21(29)24-19-11-7-17(8-12-19)16(3)28/h5-12,23H,4,13-14H2,1-3H3,(H,24,29)