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

Systemtic Name: N-(4-methylphenyl)-3,5-diphenyl-3,4-dihydropyrazole-2-carbothioamide; palladium(2+); dichloride Openeye Name: 3,5-diphenyl-N-(p-tolyl)-3,4-dihydropyrazole-2-carbothioamide; palladium(2+); dichloride CAS Name: N-(4-methylphenyl)-3,5-diphenyl-3,4-dihydropyrazole-2-carbothioamide; palladium(2+); dichloride IUPAC Name: N-(4-methylphenyl)-3,5-diphenyl-3,4-dihydropyrazole-2-carbothioamide; palladium(2+); dichloride Traditional Name: 3,5-diphenyl-N-(p-tolyl)-2-pyrazoline-1-carbothioamide; palladium(2+); dichloride Formula: C23H21Cl2N3PdS MolecularWeight: 548.82394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=S)N2C(CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4.[Cl-].[Cl-].[Pd+2]

Isomeric SMILES

CC1=CC=C(C=C1)NC(=S)N2C(CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4.[Cl-].[Cl-].[Pd+2]

InChI

InChI=1S/C23H21N3S.2ClH.Pd/c1-17-12-14-20(15-13-17)24-23(27)26-22(19-10-6-3-7-11-19)16-21(25-26)18-8-4-2-5-9-18;;;/h2-15,22H,16H2,1H3,(H,24,27);2*1H;/q;;;+2/p-2