N-[[4-(4-methylphenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-2-phenylmethoxy-ethanamide

Systemtic Name: N-[[4-(4-methylphenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-2-phenylmethoxy-ethanamide Openeye Name: 2-benzyloxy-N-[[5-benzylsulfanyl-4-(p-tolyl)-1,2,4-triazol-3-yl]methyl]acetamide CAS Name: N-[[4-(4-methylphenyl)-5-(phenylmethylthio)-1,2,4-triazol-3-yl]methyl]-2-phenylmethoxyacetamide IUPAC Name: N-[[5-benzylsulfanyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]methyl]-2-phenylmethoxyacetamide Traditional Name: 2-benzoxy-N-[[5-(benzylthio)-4-(p-tolyl)-1,2,4-triazol-3-yl]methyl]acetamide Formula: C26H26N4O2S MolecularWeight: 458.57524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=CC=C3)CNC(=O)COCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=CC=C3)CNC(=O)COCC4=CC=CC=C4

InChI

InChI=1S/C26H26N4O2S/c1-20-12-14-23(15-13-20)30-24(28-29-26(30)33-19-22-10-6-3-7-11-22)16-27-25(31)18-32-17-21-8-4-2-5-9-21/h2-15H,16-19H2,1H3,(H,27,31)