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

Systemtic Name: N-[[4-ethyl-5-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-2-fluoranyl-benzamide Openeye Name: N-[[4-ethyl-5-(p-tolylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-2-fluoro-benzamide CAS Name: N-[[4-ethyl-5-[(4-methylphenyl)methylthio]-1,2,4-triazol-3-yl]methyl]-2-fluorobenzamide IUPAC Name: N-[[4-ethyl-5-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-2-fluorobenzamide Traditional Name: N-[[4-ethyl-5-[(4-methylbenzyl)thio]-1,2,4-triazol-3-yl]methyl]-2-fluoro-benzamide Formula: C20H21FN4OS MolecularWeight: 384.470343

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC=C(C=C2)C)CNC(=O)C3=CC=CC=C3F

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC=C(C=C2)C)CNC(=O)C3=CC=CC=C3F

InChI

InChI=1S/C20H21FN4OS/c1-3-25-18(12-22-19(26)16-6-4-5-7-17(16)21)23-24-20(25)27-13-15-10-8-14(2)9-11-15/h4-11H,3,12-13H2,1-2H3,(H,22,26)