3-[(4-bromanylphenoxy)methyl]-4-octyl-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-[(4-bromanylphenoxy)methyl]-4-octyl-1H-1,2,4-triazole-5-thione Openeye Name: 3-[(4-bromophenoxy)methyl]-4-octyl-1H-1,2,4-triazole-5-thione CAS Name: 3-[(4-bromophenoxy)methyl]-4-octyl-1H-1,2,4-triazole-5-thione IUPAC Name: 3-[(4-bromophenoxy)methyl]-4-octyl-1H-1,2,4-triazole-5-thione Traditional Name: 3-[(4-bromophenoxy)methyl]-4-octyl-1H-1,2,4-triazole-5-thione Formula: C17H24BrN3OS MolecularWeight: 398.36096

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C(=NNC1=S)COC2=CC=C(C=C2)Br

Isomeric SMILES

CCCCCCCCN1C(=NNC1=S)COC2=CC=C(C=C2)Br

InChI

InChI=1S/C17H24BrN3OS/c1-2-3-4-5-6-7-12-21-16(19-20-17(21)23)13-22-15-10-8-14(18)9-11-15/h8-11H,2-7,12-13H2,1H3,(H,20,23)