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

Systemtic Name: 3-[(4-bromanyl-2-fluoranyl-phenyl)methylsulfanyl]-4-butyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[(4-bromo-2-fluoro-phenyl)methylsulfanyl]-4-butyl-1H-1,2,4-triazol-5-one CAS Name: 3-[(4-bromo-2-fluorophenyl)methylthio]-4-butyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[(4-bromo-2-fluorophenyl)methylsulfanyl]-4-butyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[(4-bromo-2-fluoro-benzyl)thio]-4-butyl-1H-1,2,4-triazol-5-one Formula: C13H15BrFN3OS MolecularWeight: 360.245103

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SCC2=C(C=C(C=C2)Br)F

Isomeric SMILES

CCCCN1C(=O)NN=C1SCC2=C(C=C(C=C2)Br)F

InChI

InChI=1S/C13H15BrFN3OS/c1-2-3-6-18-12(19)16-17-13(18)20-8-9-4-5-10(14)7-11(9)15/h4-5,7H,2-3,6,8H2,1H3,(H,16,19)