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

Systemtic Name: (4Z)-4-[dodecylsulfanyl(sulfanyl)methylidene]-1-phenyl-pyrazolidine-3,5-dione Openeye Name: (4Z)-4-[dodecylsulfanyl(sulfanyl)methylene]-1-phenyl-pyrazolidine-3,5-dione CAS Name: (4Z)-4-[(dodecylthio)-mercaptomethylidene]-1-phenylpyrazolidine-3,5-dione IUPAC Name: (4Z)-4-[dodecylsulfanyl(sulfanyl)methylidene]-1-phenylpyrazolidine-3,5-dione Traditional Name: (4Z)-4-[(laurylthio)-mercapto-methylene]-1-phenyl-pyrazolidine-3,5-quinone Formula: C22H32N2O2S2 MolecularWeight: 420.63168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H32N2O2S2/c1-2-3-4-5-6-7-8-9-10-14-17-28-22(27)19-20(25)23-24(21(19)26)18-15-12-11-13-16-18/h11-13,15-16,27H,2-10,14,17H2,1H3,(H,23,25)/b22-19-