5-propyl-4-[2,4,5-tris(chloranyl)phenyl]-1,2,4-triazole-3-thiolate

Systemtic Name: 5-propyl-4-[2,4,5-tris(chloranyl)phenyl]-1,2,4-triazole-3-thiolate Openeye Name: 5-propyl-4-(2,4,5-trichlorophenyl)-1,2,4-triazole-3-thiolate CAS Name: 5-propyl-4-(2,4,5-trichlorophenyl)-1,2,4-triazole-3-thiolate IUPAC Name: 5-propyl-4-(2,4,5-trichlorophenyl)-1,2,4-triazole-3-thiolate Traditional Name: 5-propyl-4-(2,4,5-trichlorophenyl)-1,2,4-triazole-3-thiolate Formula: C11H9Cl3N3S- MolecularWeight: 321.63326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(N1C2=CC(=C(C=C2Cl)Cl)Cl)[S-]

Isomeric SMILES

CCCC1=NN=C(N1C2=CC(=C(C=C2Cl)Cl)Cl)[S-]

InChI

InChI=1S/C11H10Cl3N3S/c1-2-3-10-15-16-11(18)17(10)9-5-7(13)6(12)4-8(9)14/h4-5H,2-3H2,1H3,(H,16,18)/p-1