4-[[4-bromanyl-5-(4-methylphenyl)sulfanyl-furan-2-yl]methylidene]-1-phenyl-pyrazolidine-3,5-dione

Systemtic Name: 4-[[4-bromanyl-5-(4-methylphenyl)sulfanyl-furan-2-yl]methylidene]-1-phenyl-pyrazolidine-3,5-dione Openeye Name: 4-[[4-bromo-5-(p-tolylsulfanyl)-2-furyl]methylene]-1-phenyl-pyrazolidine-3,5-dione CAS Name: 4-[[4-bromo-5-[(4-methylphenyl)thio]-2-furanyl]methylidene]-1-phenylpyrazolidine-3,5-dione IUPAC Name: 4-[[4-bromo-5-(4-methylphenyl)sulfanylfuran-2-yl]methylidene]-1-phenylpyrazolidine-3,5-dione Traditional Name: 4-[[4-bromo-5-(p-tolylthio)-2-furyl]methylene]-1-phenyl-pyrazolidine-3,5-quinone Formula: C21H15BrN2O3S MolecularWeight: 455.3244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=C(O2)C=C3C(=O)NN(C3=O)C4=CC=CC=C4)Br

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=C(O2)C=C3C(=O)NN(C3=O)C4=CC=CC=C4)Br

InChI

InChI=1S/C21H15BrN2O3S/c1-13-7-9-16(10-8-13)28-21-18(22)12-15(27-21)11-17-19(25)23-24(20(17)26)14-5-3-2-4-6-14/h2-12H,1H3,(H,23,25)