3-[5-[(4-bromanyl-2-fluoranyl-phenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]propanamide

Systemtic Name: 3-[5-[(4-bromanyl-2-fluoranyl-phenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[5-[(4-bromo-2-fluoro-phenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[5-[(4-bromo-2-fluorophenyl)methylthio]-4-ethyl-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[5-[(4-bromo-2-fluorophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[5-[(4-bromo-2-fluoro-benzyl)thio]-4-ethyl-1,2,4-triazol-3-yl]propionamide Formula: C14H16BrFN4OS MolecularWeight: 387.270443

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=C(C=C(C=C2)Br)F)CCC(=O)N

Isomeric SMILES

CCN1C(=NN=C1SCC2=C(C=C(C=C2)Br)F)CCC(=O)N

InChI

InChI=1S/C14H16BrFN4OS/c1-2-20-13(6-5-12(17)21)18-19-14(20)22-8-9-3-4-10(15)7-11(9)16/h3-4,7H,2,5-6,8H2,1H3,(H2,17,21)