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

Systemtic Name: 2-[[4-ethyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-fluoranyl-4-methyl-phenyl)ethanamide Openeye Name: 2-[[4-ethyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-fluoro-4-methyl-phenyl)acetamide CAS Name: 2-[[4-ethyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]thio]-N-(3-fluoro-4-methylphenyl)acetamide IUPAC Name: 2-[[4-ethyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-fluoro-4-methylphenyl)acetamide Traditional Name: 2-[[4-ethyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]thio]-N-(3-fluoro-4-methyl-phenyl)acetamide Formula: C20H21FN4O2S MolecularWeight: 400.469743

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC2=CC(=C(C=C2)C)F)COC3=CC=CC=C3

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC2=CC(=C(C=C2)C)F)COC3=CC=CC=C3

InChI

InChI=1S/C20H21FN4O2S/c1-3-25-18(12-27-16-7-5-4-6-8-16)23-24-20(25)28-13-19(26)22-15-10-9-14(2)17(21)11-15/h4-11H,3,12-13H2,1-2H3,(H,22,26)