5-propan-2-yl-4-[2,4,6-tris(chloranyl)phenyl]-1,2,4-triazole-3-thiolate

Systemtic Name: 5-propan-2-yl-4-[2,4,6-tris(chloranyl)phenyl]-1,2,4-triazole-3-thiolate Openeye Name: 5-isopropyl-4-(2,4,6-trichlorophenyl)-1,2,4-triazole-3-thiolate CAS Name: 5-propan-2-yl-4-(2,4,6-trichlorophenyl)-1,2,4-triazole-3-thiolate IUPAC Name: 5-propan-2-yl-4-(2,4,6-trichlorophenyl)-1,2,4-triazole-3-thiolate Traditional Name: 5-isopropyl-4-(2,4,6-trichlorophenyl)-1,2,4-triazole-3-thiolate Formula: C11H9Cl3N3S- MolecularWeight: 321.63326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN=C(N1C2=C(C=C(C=C2Cl)Cl)Cl)[S-]

Isomeric SMILES

CC(C)C1=NN=C(N1C2=C(C=C(C=C2Cl)Cl)Cl)[S-]

InChI

InChI=1S/C11H10Cl3N3S/c1-5(2)10-15-16-11(18)17(10)9-7(13)3-6(12)4-8(9)14/h3-5H,1-2H3,(H,16,18)/p-1