3-[(4-bromanyl-2-fluoranyl-phenyl)methylsulfanyl]-4-(oxolan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazole

Systemtic Name: 3-[(4-bromanyl-2-fluoranyl-phenyl)methylsulfanyl]-4-(oxolan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazole Openeye Name: 3-[(4-bromo-2-fluoro-phenyl)methylsulfanyl]-4-(tetrahydrofuran-2-ylmethyl)-5-(2-thienyl)-1,2,4-triazole CAS Name: 3-[(4-bromo-2-fluorophenyl)methylthio]-4-(2-oxolanylmethyl)-5-thiophen-2-yl-1,2,4-triazole IUPAC Name: 3-[(4-bromo-2-fluorophenyl)methylsulfanyl]-4-(oxolan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazole Traditional Name: 3-[(4-bromo-2-fluoro-benzyl)thio]-4-(tetrahydrofurfuryl)-5-(2-thienyl)-1,2,4-triazole Formula: C18H17BrFN3OS2 MolecularWeight: 454.379483

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN2C(=NN=C2SCC3=C(C=C(C=C3)Br)F)C4=CC=CS4

Isomeric SMILES

C1CC(OC1)CN2C(=NN=C2SCC3=C(C=C(C=C3)Br)F)C4=CC=CS4

InChI

InChI=1S/C18H17BrFN3OS2/c19-13-6-5-12(15(20)9-13)11-26-18-22-21-17(16-4-2-8-25-16)23(18)10-14-3-1-7-24-14/h2,4-6,8-9,14H,1,3,7,10-11H2