4-[1-(3-bicyclo[2.2.1]heptanyl)ethyl]-3-[2-(3-bromanylphenoxy)ethylsulfanyl]-5-[(2-fluoranylphenoxy)methyl]-1,2,4-triazole

Systemtic Name: 4-[1-(3-bicyclo[2.2.1]heptanyl)ethyl]-3-[2-(3-bromanylphenoxy)ethylsulfanyl]-5-[(2-fluoranylphenoxy)methyl]-1,2,4-triazole Openeye Name: 3-[2-(3-bromophenoxy)ethylsulfanyl]-5-[(2-fluorophenoxy)methyl]-4-(1-norbornan-2-ylethyl)-1,2,4-triazole CAS Name: 4-[1-(3-bicyclo[2.2.1]heptanyl)ethyl]-3-[2-(3-bromophenoxy)ethylthio]-5-[(2-fluorophenoxy)methyl]-1,2,4-triazole IUPAC Name: 4-[1-(3-bicyclo[2.2.1]heptanyl)ethyl]-3-[2-(3-bromophenoxy)ethylsulfanyl]-5-[(2-fluorophenoxy)methyl]-1,2,4-triazole Traditional Name: 3-[2-(3-bromophenoxy)ethylthio]-5-[(2-fluorophenoxy)methyl]-4-[1-(2-norbornyl)ethyl]-1,2,4-triazole Formula: C26H29BrFN3O2S MolecularWeight: 546.494763

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CC2CCC1C2)N3C(=NN=C3SCCOC4=CC(=CC=C4)Br)COC5=CC=CC=C5F

Isomeric SMILES

CC(C1CC2CCC1C2)N3C(=NN=C3SCCOC4=CC(=CC=C4)Br)COC5=CC=CC=C5F

InChI

InChI=1S/C26H29BrFN3O2S/c1-17(22-14-18-9-10-19(22)13-18)31-25(16-33-24-8-3-2-7-23(24)28)29-30-26(31)34-12-11-32-21-6-4-5-20(27)15-21/h2-8,15,17-19,22H,9-14,16H2,1H3