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

Systemtic Name: 4-[2,6-bis(chloranyl)-3-methyl-phenyl]-5-propan-2-yl-1,2,4-triazole-3-thiolate Openeye Name: 4-(2,6-dichloro-3-methyl-phenyl)-5-isopropyl-1,2,4-triazole-3-thiolate CAS Name: 4-(2,6-dichloro-3-methylphenyl)-5-propan-2-yl-1,2,4-triazole-3-thiolate IUPAC Name: 4-(2,6-dichloro-3-methylphenyl)-5-propan-2-yl-1,2,4-triazole-3-thiolate Traditional Name: 4-(2,6-dichloro-3-methyl-phenyl)-5-isopropyl-1,2,4-triazole-3-thiolate Formula: C12H12Cl2N3S- MolecularWeight: 301.21478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)Cl)N2C(=NN=C2[S-])C(C)C)Cl

Isomeric SMILES

CC1=C(C(=C(C=C1)Cl)N2C(=NN=C2[S-])C(C)C)Cl

InChI

InChI=1S/C12H13Cl2N3S/c1-6(2)11-15-16-12(18)17(11)10-8(13)5-4-7(3)9(10)14/h4-6H,1-3H3,(H,16,18)/p-1