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

Systemtic Name: 3-[5-[(2-bromanyl-4-fluoranyl-phenyl)methylsulfanyl]-4-cyclopropyl-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[5-[(2-bromo-4-fluoro-phenyl)methylsulfanyl]-4-cyclopropyl-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[5-[(2-bromo-4-fluorophenyl)methylthio]-4-cyclopropyl-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[5-[(2-bromo-4-fluorophenyl)methylsulfanyl]-4-cyclopropyl-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[5-[(2-bromo-4-fluoro-benzyl)thio]-4-cyclopropyl-1,2,4-triazol-3-yl]propionamide Formula: C15H16BrFN4OS MolecularWeight: 399.281143

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=C2SCC3=C(C=C(C=C3)F)Br)CCC(=O)N

Isomeric SMILES

C1CC1N2C(=NN=C2SCC3=C(C=C(C=C3)F)Br)CCC(=O)N

InChI

InChI=1S/C15H16BrFN4OS/c16-12-7-10(17)2-1-9(12)8-23-15-20-19-14(6-5-13(18)22)21(15)11-3-4-11/h1-2,7,11H,3-6,8H2,(H2,18,22)