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

Systemtic Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-5-[(2-fluoranylphenoxy)methyl]-4-hexyl-1,2,4-triazole Openeye Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-5-[(2-fluorophenoxy)methyl]-4-hexyl-1,2,4-triazole CAS Name: 3-[(4-tert-butylphenyl)methylthio]-5-[(2-fluorophenoxy)methyl]-4-hexyl-1,2,4-triazole IUPAC Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-5-[(2-fluorophenoxy)methyl]-4-hexyl-1,2,4-triazole Traditional Name: 3-[(4-tert-butylbenzyl)thio]-5-[(2-fluorophenoxy)methyl]-4-hexyl-1,2,4-triazole Formula: C26H34FN3OS MolecularWeight: 455.631063

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H34FN3OS/c1-5-6-7-10-17-30-24(18-31-23-12-9-8-11-22(23)27)28-29-25(30)32-19-20-13-15-21(16-14-20)26(2,3)4/h8-9,11-16H,5-7,10,17-19H2,1-4H3