5-[5-tert-butyl-2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-4-phenyl-1,2,4-triazole-3-thiolate

Systemtic Name: 5-[5-tert-butyl-2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-4-phenyl-1,2,4-triazole-3-thiolate Openeye Name: 5-[5-tert-butyl-2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-4-phenyl-1,2,4-triazole-3-thiolate CAS Name: 5-[5-tert-butyl-2-[(2,4-dichlorophenyl)methyl]-3-pyrazolyl]-4-phenyl-1,2,4-triazole-3-thiolate IUPAC Name: 5-[5-tert-butyl-2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-4-phenyl-1,2,4-triazole-3-thiolate Traditional Name: 5-[5-tert-butyl-2-(2,4-dichlorobenzyl)pyrazol-3-yl]-4-phenyl-1,2,4-triazole-3-thiolate Formula: C22H20Cl2N5S- MolecularWeight: 457.3987

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)C2=NN=C(N2C3=CC=CC=C3)[S-])CC4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)C2=NN=C(N2C3=CC=CC=C3)[S-])CC4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C22H21Cl2N5S/c1-22(2,3)19-12-18(28(27-19)13-14-9-10-15(23)11-17(14)24)20-25-26-21(30)29(20)16-7-5-4-6-8-16/h4-12H,13H2,1-3H3,(H,26,30)/p-1