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

Systemtic Name: N-[[5-[(4-bromophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]methyl]-4-fluoranyl-benzamide Openeye Name: N-[[5-[(4-bromophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]methyl]-4-fluoro-benzamide CAS Name: N-[[5-[(4-bromophenyl)methylthio]-4-ethyl-1,2,4-triazol-3-yl]methyl]-4-fluorobenzamide IUPAC Name: N-[[5-[(4-bromophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]methyl]-4-fluorobenzamide Traditional Name: N-[[5-[(4-bromobenzyl)thio]-4-ethyl-1,2,4-triazol-3-yl]methyl]-4-fluoro-benzamide Formula: C19H18BrFN4OS MolecularWeight: 449.339823

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18BrFN4OS/c1-2-25-17(11-22-18(26)14-5-9-16(21)10-6-14)23-24-19(25)27-12-13-3-7-15(20)8-4-13/h3-10H,2,11-12H2,1H3,(H,22,26)