(4Z)-4-[octadecylsulfanyl(sulfanyl)methylidene]-1-phenyl-pyrazolidine-3,5-dione

Systemtic Name: (4Z)-4-[octadecylsulfanyl(sulfanyl)methylidene]-1-phenyl-pyrazolidine-3,5-dione Openeye Name: (4Z)-4-[octadecylsulfanyl(sulfanyl)methylene]-1-phenyl-pyrazolidine-3,5-dione CAS Name: (4Z)-4-[mercapto-(octadecylthio)methylidene]-1-phenylpyrazolidine-3,5-dione IUPAC Name: (4Z)-4-[octadecylsulfanyl(sulfanyl)methylidene]-1-phenylpyrazolidine-3,5-dione Traditional Name: (4Z)-4-[mercapto-(stearylthio)methylene]-1-phenyl-pyrazolidine-3,5-quinone Formula: C28H44N2O2S2 MolecularWeight: 504.79116

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCSC(=C1C(=O)NN(C1=O)C2=CC=CC=C2)S

Isomeric SMILES

CCCCCCCCCCCCCCCCCCS/C(=C\1/C(=O)NN(C1=O)C2=CC=CC=C2)/S

InChI

InChI=1S/C28H44N2O2S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-34-28(33)25-26(31)29-30(27(25)32)24-21-18-17-19-22-24/h17-19,21-22,33H,2-16,20,23H2,1H3,(H,29,31)/b28-25-