N-[[4-ethyl-5-(2-phenoxyethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-2-(4-methoxyphenyl)ethanamide

Systemtic Name: N-[[4-ethyl-5-(2-phenoxyethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-2-(4-methoxyphenyl)ethanamide Openeye Name: N-[[4-ethyl-5-(2-phenoxyethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-2-(4-methoxyphenyl)acetamide CAS Name: N-[[4-ethyl-5-(2-phenoxyethylthio)-1,2,4-triazol-3-yl]methyl]-2-(4-methoxyphenyl)acetamide IUPAC Name: N-[[4-ethyl-5-(2-phenoxyethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-2-(4-methoxyphenyl)acetamide Traditional Name: N-[[4-ethyl-5-(2-phenoxyethylthio)-1,2,4-triazol-3-yl]methyl]-2-(4-methoxyphenyl)acetamide Formula: C22H26N4O3S MolecularWeight: 426.53184

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCCOC2=CC=CC=C2)CNC(=O)CC3=CC=C(C=C3)OC

Isomeric SMILES

CCN1C(=NN=C1SCCOC2=CC=CC=C2)CNC(=O)CC3=CC=C(C=C3)OC

InChI

InChI=1S/C22H26N4O3S/c1-3-26-20(16-23-21(27)15-17-9-11-18(28-2)12-10-17)24-25-22(26)30-14-13-29-19-7-5-4-6-8-19/h4-12H,3,13-16H2,1-2H3,(H,23,27)