2-[[5-[(2-ethoxy-4-methyl-phenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone

Systemtic Name: 2-[[5-[(2-ethoxy-4-methyl-phenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone Openeye Name: 2-[[5-[(2-ethoxy-4-methyl-phenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone CAS Name: 2-[[5-[(2-ethoxy-4-methylphenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]thio]-1-phenylethanone IUPAC Name: 2-[[5-[(2-ethoxy-4-methylphenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone Traditional Name: 2-[[5-[(2-ethoxy-4-methyl-phenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]thio]-1-phenyl-ethanone Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)C2=CC=CC=C2)COC3=C(C=C(C=C3)C)OCC

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)C2=CC=CC=C2)COC3=C(C=C(C=C3)C)OCC

InChI

InChI=1S/C22H25N3O3S/c1-4-25-21(14-28-19-12-11-16(3)13-20(19)27-5-2)23-24-22(25)29-15-18(26)17-9-7-6-8-10-17/h6-13H,4-5,14-15H2,1-3H3