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

Systemtic Name: N-(4-ethoxyphenyl)-2-[[5-[[(4-methylphenyl)amino]methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(4-ethoxyphenyl)-2-[[5-[(4-methylanilino)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(4-ethoxyphenyl)-2-[[5-[(4-methylanilino)methyl]-1H-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(4-ethoxyphenyl)-2-[[5-[(4-methylanilino)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-p-phenetyl-2-[[5-(p-toluidinomethyl)-1H-1,2,4-triazol-3-yl]thio]acetamide Formula: C20H23N5O2S MolecularWeight: 397.49392

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)CSC2=NNC(=N2)CNC3=CC=C(C=C3)C

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)CSC2=NNC(=N2)CNC3=CC=C(C=C3)C

InChI

InChI=1S/C20H23N5O2S/c1-3-27-17-10-8-16(9-11-17)22-19(26)13-28-20-23-18(24-25-20)12-21-15-6-4-14(2)5-7-15/h4-11,21H,3,12-13H2,1-2H3,(H,22,26)(H,23,24,25)