3-[2-(4-bromanylphenoxy)ethylsulfanyl]-4-cyclohexyl-5-(2-fluorophenyl)-1,2,4-triazole

Systemtic Name: 3-[2-(4-bromanylphenoxy)ethylsulfanyl]-4-cyclohexyl-5-(2-fluorophenyl)-1,2,4-triazole Openeye Name: 3-[2-(4-bromophenoxy)ethylsulfanyl]-4-cyclohexyl-5-(2-fluorophenyl)-1,2,4-triazole CAS Name: 3-[2-(4-bromophenoxy)ethylthio]-4-cyclohexyl-5-(2-fluorophenyl)-1,2,4-triazole IUPAC Name: 3-[2-(4-bromophenoxy)ethylsulfanyl]-4-cyclohexyl-5-(2-fluorophenyl)-1,2,4-triazole Traditional Name: 3-[2-(4-bromophenoxy)ethylthio]-4-cyclohexyl-5-(2-fluorophenyl)-1,2,4-triazole Formula: C22H23BrFN3OS MolecularWeight: 476.404923

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN=C2SCCOC3=CC=C(C=C3)Br)C4=CC=CC=C4F

Isomeric SMILES

C1CCC(CC1)N2C(=NN=C2SCCOC3=CC=C(C=C3)Br)C4=CC=CC=C4F

InChI

InChI=1S/C22H23BrFN3OS/c23-16-10-12-18(13-11-16)28-14-15-29-22-26-25-21(19-8-4-5-9-20(19)24)27(22)17-6-2-1-3-7-17/h4-5,8-13,17H,1-3,6-7,14-15H2