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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NNC1=S)C2=CC=C(O2)COC3=CC=C(C=C3)Br

Isomeric SMILES

CCCCN1C(=NNC1=S)C2=CC=C(O2)COC3=CC=C(C=C3)Br

InChI

InChI=1S/C17H18BrN3O2S/c1-2-3-10-21-16(19-20-17(21)24)15-9-8-14(23-15)11-22-13-6-4-12(18)5-7-13/h4-9H,2-3,10-11H2,1H3,(H,20,24)