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

Systemtic Name: 3-[2-(4-bromanylphenoxy)ethylsulfanyl]-4-cyclopentyl-5-(2-fluorophenyl)-1,2,4-triazole Openeye Name: 3-[2-(4-bromophenoxy)ethylsulfanyl]-4-cyclopentyl-5-(2-fluorophenyl)-1,2,4-triazole CAS Name: 3-[2-(4-bromophenoxy)ethylthio]-4-cyclopentyl-5-(2-fluorophenyl)-1,2,4-triazole IUPAC Name: 3-[2-(4-bromophenoxy)ethylsulfanyl]-4-cyclopentyl-5-(2-fluorophenyl)-1,2,4-triazole Traditional Name: 3-[2-(4-bromophenoxy)ethylthio]-4-cyclopentyl-5-(2-fluorophenyl)-1,2,4-triazole Formula: C21H21BrFN3OS MolecularWeight: 462.378343

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C(=NN=C2SCCOC3=CC=C(C=C3)Br)C4=CC=CC=C4F

Isomeric SMILES

C1CCC(C1)N2C(=NN=C2SCCOC3=CC=C(C=C3)Br)C4=CC=CC=C4F

InChI

InChI=1S/C21H21BrFN3OS/c22-15-9-11-17(12-10-15)27-13-14-28-21-25-24-20(18-7-3-4-8-19(18)23)26(21)16-5-1-2-6-16/h3-4,7-12,16H,1-2,5-6,13-14H2