2-[[4-[(1-oxidanylidenephthalazin-2-yl)sulfanylmethyl]phenyl]methylsulfanyl]phthalazin-1-one

Systemtic Name: 2-[[4-[(1-oxidanylidenephthalazin-2-yl)sulfanylmethyl]phenyl]methylsulfanyl]phthalazin-1-one Openeye Name: 2-[[4-[(1-oxophthalazin-2-yl)sulfanylmethyl]phenyl]methylsulfanyl]phthalazin-1-one CAS Name: 2-[[4-[[(1-oxo-2-phthalazinyl)thio]methyl]phenyl]methylthio]-1-phthalazinone IUPAC Name: 2-[[4-[(1-oxophthalazin-2-yl)sulfanylmethyl]phenyl]methylsulfanyl]phthalazin-1-one Traditional Name: 2-[[4-[[(1-ketophthalazin-2-yl)thio]methyl]benzyl]thio]phthalazin-1-one Formula: C24H18N4O2S2 MolecularWeight: 458.55532

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=NN(C2=O)SCC3=CC=C(C=C3)CSN4C(=O)C5=CC=CC=C5C=N4

Isomeric SMILES

C1=CC=C2C(=C1)C=NN(C2=O)SCC3=CC=C(C=C3)CSN4C(=O)C5=CC=CC=C5C=N4

InChI

InChI=1S/C24H18N4O2S2/c29-23-21-7-3-1-5-19(21)13-25-27(23)31-15-17-9-11-18(12-10-17)16-32-28-24(30)22-8-4-2-6-20(22)14-26-28/h1-14H,15-16H2