4-[2,6-bis(bromanyl)-4-methyl-phenyl]-5-propyl-1,2,4-triazole-3-thiolate

Systemtic Name: 4-[2,6-bis(bromanyl)-4-methyl-phenyl]-5-propyl-1,2,4-triazole-3-thiolate Openeye Name: 4-(2,6-dibromo-4-methyl-phenyl)-5-propyl-1,2,4-triazole-3-thiolate CAS Name: 4-(2,6-dibromo-4-methylphenyl)-5-propyl-1,2,4-triazole-3-thiolate IUPAC Name: 4-(2,6-dibromo-4-methylphenyl)-5-propyl-1,2,4-triazole-3-thiolate Traditional Name: 4-(2,6-dibromo-4-methyl-phenyl)-5-propyl-1,2,4-triazole-3-thiolate Formula: C12H12Br2N3S- MolecularWeight: 390.11678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(N1C2=C(C=C(C=C2Br)C)Br)[S-]

Isomeric SMILES

CCCC1=NN=C(N1C2=C(C=C(C=C2Br)C)Br)[S-]

InChI

InChI=1S/C12H13Br2N3S/c1-3-4-10-15-16-12(18)17(10)11-8(13)5-7(2)6-9(11)14/h5-6H,3-4H2,1-2H3,(H,16,18)/p-1