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

Systemtic Name: 3-[5-[(4-bromanylphenoxy)methyl]furan-2-yl]-4-(2-methylpropyl)-1H-1,2,4-triazole-5-thione Openeye Name: 3-[5-[(4-bromophenoxy)methyl]-2-furyl]-4-isobutyl-1H-1,2,4-triazole-5-thione CAS Name: 3-[5-[(4-bromophenoxy)methyl]-2-furanyl]-4-(2-methylpropyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 3-[5-[(4-bromophenoxy)methyl]furan-2-yl]-4-(2-methylpropyl)-1H-1,2,4-triazole-5-thione Traditional Name: 3-[5-[(4-bromophenoxy)methyl]-2-furyl]-4-isobutyl-1H-1,2,4-triazole-5-thione Formula: C17H18BrN3O2S MolecularWeight: 408.31272

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=NNC1=S)C2=CC=C(O2)COC3=CC=C(C=C3)Br

Isomeric SMILES

CC(C)CN1C(=NNC1=S)C2=CC=C(O2)COC3=CC=C(C=C3)Br

InChI

InChI=1S/C17H18BrN3O2S/c1-11(2)9-21-16(19-20-17(21)24)15-8-7-14(23-15)10-22-13-5-3-12(18)4-6-13/h3-8,11H,9-10H2,1-2H3,(H,20,24)