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

Systemtic Name: 3-[(4-bromanyl-2-fluoranyl-phenyl)methylsulfanyl]-4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazole Openeye Name: 3-[(4-bromo-2-fluoro-phenyl)methylsulfanyl]-4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazole CAS Name: 3-[(4-bromo-2-fluorophenyl)methylthio]-4-cyclopropyl-5-(1-pyrrolidinyl)-1,2,4-triazole IUPAC Name: 3-[(4-bromo-2-fluorophenyl)methylsulfanyl]-4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazole Traditional Name: 3-[(4-bromo-2-fluoro-benzyl)thio]-4-cyclopropyl-5-pyrrolidino-1,2,4-triazole Formula: C16H18BrFN4S MolecularWeight: 397.308323

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NN=C(N2C3CC3)SCC4=C(C=C(C=C4)Br)F

Isomeric SMILES

C1CCN(C1)C2=NN=C(N2C3CC3)SCC4=C(C=C(C=C4)Br)F

InChI

InChI=1S/C16H18BrFN4S/c17-12-4-3-11(14(18)9-12)10-23-16-20-19-15(21-7-1-2-8-21)22(16)13-5-6-13/h3-4,9,13H,1-2,5-8,10H2