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

Systemtic Name: 3-[5-[(4-bromanyl-2-fluoranyl-phenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[5-[(4-bromo-2-fluoro-phenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[5-[(4-bromo-2-fluorophenyl)methylthio]-4-methyl-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[5-[(4-bromo-2-fluorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[5-[(4-bromo-2-fluoro-benzyl)thio]-4-methyl-1,2,4-triazol-3-yl]propionamide Formula: C13H14BrFN4OS MolecularWeight: 373.243863

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=C(C=C(C=C2)Br)F)CCC(=O)N

Isomeric SMILES

CN1C(=NN=C1SCC2=C(C=C(C=C2)Br)F)CCC(=O)N

InChI

InChI=1S/C13H14BrFN4OS/c1-19-12(5-4-11(16)20)17-18-13(19)21-7-8-2-3-9(14)6-10(8)15/h2-3,6H,4-5,7H2,1H3,(H2,16,20)