(4Z)-1-phenyl-4-[prop-2-enylsulfanyl(sulfanyl)methylidene]pyrazolidine-3,5-dione

Systemtic Name: (4Z)-1-phenyl-4-[prop-2-enylsulfanyl(sulfanyl)methylidene]pyrazolidine-3,5-dione Openeye Name: (4Z)-4-[allylsulfanyl(sulfanyl)methylene]-1-phenyl-pyrazolidine-3,5-dione CAS Name: (4Z)-4-[mercapto-(prop-2-enylthio)methylidene]-1-phenylpyrazolidine-3,5-dione IUPAC Name: (4Z)-1-phenyl-4-[prop-2-enylsulfanyl(sulfanyl)methylidene]pyrazolidine-3,5-dione Traditional Name: (4Z)-4-[(allylthio)-mercapto-methylene]-1-phenyl-pyrazolidine-3,5-quinone Formula: C13H12N2O2S2 MolecularWeight: 292.37658

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC(=C1C(=O)NN(C1=O)C2=CC=CC=C2)S

Isomeric SMILES

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

InChI

InChI=1S/C13H12N2O2S2/c1-2-8-19-13(18)10-11(16)14-15(12(10)17)9-6-4-3-5-7-9/h2-7,18H,1,8H2,(H,14,16)/b13-10-