3-[(4-bromophenyl)methylsulfanyl]-5-[(2-fluoranylphenoxy)methyl]-4-hexyl-1,2,4-triazole

Systemtic Name: 3-[(4-bromophenyl)methylsulfanyl]-5-[(2-fluoranylphenoxy)methyl]-4-hexyl-1,2,4-triazole Openeye Name: 3-[(4-bromophenyl)methylsulfanyl]-5-[(2-fluorophenoxy)methyl]-4-hexyl-1,2,4-triazole CAS Name: 3-[(4-bromophenyl)methylthio]-5-[(2-fluorophenoxy)methyl]-4-hexyl-1,2,4-triazole IUPAC Name: 3-[(4-bromophenyl)methylsulfanyl]-5-[(2-fluorophenoxy)methyl]-4-hexyl-1,2,4-triazole Traditional Name: 3-[(4-bromobenzyl)thio]-5-[(2-fluorophenoxy)methyl]-4-hexyl-1,2,4-triazole Formula: C22H25BrFN3OS MolecularWeight: 478.420803

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=NN=C1SCC2=CC=C(C=C2)Br)COC3=CC=CC=C3F

Isomeric SMILES

CCCCCCN1C(=NN=C1SCC2=CC=C(C=C2)Br)COC3=CC=CC=C3F

InChI

InChI=1S/C22H25BrFN3OS/c1-2-3-4-7-14-27-21(15-28-20-9-6-5-8-19(20)24)25-26-22(27)29-16-17-10-12-18(23)13-11-17/h5-6,8-13H,2-4,7,14-16H2,1H3