3-[(4-bromanyl-2-fluoranyl-phenyl)methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one

Systemtic Name: 3-[(4-bromanyl-2-fluoranyl-phenyl)methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[(4-bromo-2-fluoro-phenyl)methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one CAS Name: 3-[(4-bromo-2-fluorophenyl)methylthio]-4-propyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[(4-bromo-2-fluorophenyl)methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[(4-bromo-2-fluoro-benzyl)thio]-4-propyl-1H-1,2,4-triazol-5-one Formula: C12H13BrFN3OS MolecularWeight: 346.218523

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NN=C1SCC2=C(C=C(C=C2)Br)F

Isomeric SMILES

CCCN1C(=O)NN=C1SCC2=C(C=C(C=C2)Br)F

InChI

InChI=1S/C12H13BrFN3OS/c1-2-5-17-11(18)15-16-12(17)19-7-8-3-4-9(13)6-10(8)14/h3-4,6H,2,5,7H2,1H3,(H,15,18)