(4E)-1-(3-hexylsulfanylpropyl)-2-methyl-4-(oxidanylmethylidene)pyrazolidine-3,5-dione

Systemtic Name: (4E)-1-(3-hexylsulfanylpropyl)-2-methyl-4-(oxidanylmethylidene)pyrazolidine-3,5-dione Openeye Name: (4E)-1-(3-hexylsulfanylpropyl)-4-(hydroxymethylene)-2-methyl-pyrazolidine-3,5-dione CAS Name: (4E)-1-[3-(hexylthio)propyl]-4-(hydroxymethylidene)-2-methylpyrazolidine-3,5-dione IUPAC Name: (4E)-1-(3-hexylsulfanylpropyl)-4-(hydroxymethylidene)-2-methylpyrazolidine-3,5-dione Traditional Name: (4E)-1-[3-(hexylthio)propyl]-4-(hydroxymethylene)-2-methyl-pyrazolidine-3,5-quinone Formula: C14H24N2O3S MolecularWeight: 300.41696

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSCCCN1C(=O)C(=CO)C(=O)N1C

Isomeric SMILES

CCCCCCSCCCN1C(=O)/C(=C/O)/C(=O)N1C

InChI

InChI=1S/C14H24N2O3S/c1-3-4-5-6-9-20-10-7-8-16-14(19)12(11-17)13(18)15(16)2/h11,17H,3-10H2,1-2H3/b12-11+