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

Systemtic Name: 3-[(4-bromanylphenoxy)methyl]-4-prop-2-enyl-1H-1,2,4-triazole-5-thione Openeye Name: 4-allyl-3-[(4-bromophenoxy)methyl]-1H-1,2,4-triazole-5-thione CAS Name: 3-[(4-bromophenoxy)methyl]-4-prop-2-enyl-1H-1,2,4-triazole-5-thione IUPAC Name: 3-[(4-bromophenoxy)methyl]-4-prop-2-enyl-1H-1,2,4-triazole-5-thione Traditional Name: 4-allyl-3-[(4-bromophenoxy)methyl]-1H-1,2,4-triazole-5-thione Formula: C12H12BrN3OS MolecularWeight: 326.21218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NNC1=S)COC2=CC=C(C=C2)Br

Isomeric SMILES

C=CCN1C(=NNC1=S)COC2=CC=C(C=C2)Br

InChI

InChI=1S/C12H12BrN3OS/c1-2-7-16-11(14-15-12(16)18)8-17-10-5-3-9(13)4-6-10/h2-6H,1,7-8H2,(H,15,18)