2-[[5-[(3-ethyl-5-methyl-phenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-ethanamide

Systemtic Name: 2-[[5-[(3-ethyl-5-methyl-phenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-ethanamide Openeye Name: 2-[[5-[(3-ethyl-5-methyl-phenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-acetamide CAS Name: 2-[[5-[(3-ethyl-5-methylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]-N-phenethylacetamide IUPAC Name: 2-[[5-[(3-ethyl-5-methylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenethylacetamide Traditional Name: 2-[[5-[(3-ethyl-5-methyl-phenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]-N-phenethyl-acetamide Formula: C28H30N4O2S MolecularWeight: 486.6284

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC(=C1)C)OCC2=NN=C(N2C3=CC=CC=C3)SCC(=O)NCCC4=CC=CC=C4

Isomeric SMILES

CCC1=CC(=CC(=C1)C)OCC2=NN=C(N2C3=CC=CC=C3)SCC(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C28H30N4O2S/c1-3-22-16-21(2)17-25(18-22)34-19-26-30-31-28(32(26)24-12-8-5-9-13-24)35-20-27(33)29-15-14-23-10-6-4-7-11-23/h4-13,16-18H,3,14-15,19-20H2,1-2H3,(H,29,33)