2-[6-(1-oxidanylidenephthalazin-2-yl)sulfanylhexylsulfanyl]phthalazin-1-one

Systemtic Name: 2-[6-(1-oxidanylidenephthalazin-2-yl)sulfanylhexylsulfanyl]phthalazin-1-one Openeye Name: 2-[6-(1-oxophthalazin-2-yl)sulfanylhexylsulfanyl]phthalazin-1-one CAS Name: 2-[6-[(1-oxo-2-phthalazinyl)thio]hexylthio]-1-phthalazinone IUPAC Name: 2-[6-(1-oxophthalazin-2-yl)sulfanylhexylsulfanyl]phthalazin-1-one Traditional Name: 2-[6-[(1-ketophthalazin-2-yl)thio]hexylthio]phthalazin-1-one Formula: C22H22N4O2S2 MolecularWeight: 438.56568

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=NN(C2=O)SCCCCCCSN3C(=O)C4=CC=CC=C4C=N3

Isomeric SMILES

C1=CC=C2C(=C1)C=NN(C2=O)SCCCCCCSN3C(=O)C4=CC=CC=C4C=N3

InChI

InChI=1S/C22H22N4O2S2/c27-21-19-11-5-3-9-17(19)15-23-25(21)29-13-7-1-2-8-14-30-26-22(28)20-12-6-4-10-18(20)16-24-26/h3-6,9-12,15-16H,1-2,7-8,13-14H2