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

Systemtic Name: N-[[4-ethyl-5-(2-phenoxyethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-2-fluoranyl-benzamide Openeye Name: N-[[4-ethyl-5-(2-phenoxyethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-2-fluoro-benzamide CAS Name: N-[[4-ethyl-5-(2-phenoxyethylthio)-1,2,4-triazol-3-yl]methyl]-2-fluorobenzamide IUPAC Name: N-[[4-ethyl-5-(2-phenoxyethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-2-fluorobenzamide Traditional Name: N-[[4-ethyl-5-(2-phenoxyethylthio)-1,2,4-triazol-3-yl]methyl]-2-fluoro-benzamide Formula: C20H21FN4O2S MolecularWeight: 400.469743

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCCOC2=CC=CC=C2)CNC(=O)C3=CC=CC=C3F

Isomeric SMILES

CCN1C(=NN=C1SCCOC2=CC=CC=C2)CNC(=O)C3=CC=CC=C3F

InChI

InChI=1S/C20H21FN4O2S/c1-2-25-18(14-22-19(26)16-10-6-7-11-17(16)21)23-24-20(25)28-13-12-27-15-8-4-3-5-9-15/h3-11H,2,12-14H2,1H3,(H,22,26)