N-(2-adamantyl)-3,5-diphenyl-3,4-dihydropyrazole-2-carbothioamide; palladium(2+); dichloride

Systemtic Name: N-(2-adamantyl)-3,5-diphenyl-3,4-dihydropyrazole-2-carbothioamide; palladium(2+); dichloride Openeye Name: N-(2-adamantyl)-3,5-diphenyl-3,4-dihydropyrazole-2-carbothioamide; palladium(2+); dichloride CAS Name: N-(2-adamantyl)-3,5-diphenyl-3,4-dihydropyrazole-2-carbothioamide; palladium(2+); dichloride IUPAC Name: N-(2-adamantyl)-3,5-diphenyl-3,4-dihydropyrazole-2-carbothioamide; palladium(2+); dichloride Traditional Name: N-(2-adamantyl)-3,5-diphenyl-2-pyrazoline-1-carbothioamide; palladium(2+); dichloride Formula: C26H29Cl2N3PdS MolecularWeight: 592.91956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3NC(=S)N4C(CC(=N4)C5=CC=CC=C5)C6=CC=CC=C6.[Cl-].[Cl-].[Pd+2]

Isomeric SMILES

C1C2CC3CC1CC(C2)C3NC(=S)N4C(CC(=N4)C5=CC=CC=C5)C6=CC=CC=C6.[Cl-].[Cl-].[Pd+2]

InChI

InChI=1S/C26H29N3S.2ClH.Pd/c30-26(27-25-21-12-17-11-18(14-21)15-22(25)13-17)29-24(20-9-5-2-6-10-20)16-23(28-29)19-7-3-1-4-8-19;;;/h1-10,17-18,21-22,24-25H,11-16H2,(H,27,30);2*1H;/q;;;+2/p-2