2-[1-[4-[1-(1-oxidanylidenephthalazin-2-yl)sulfanylethyl]phenyl]ethylsulfanyl]phthalazin-1-one

Systemtic Name: 2-[1-[4-[1-(1-oxidanylidenephthalazin-2-yl)sulfanylethyl]phenyl]ethylsulfanyl]phthalazin-1-one Openeye Name: 2-[1-[4-[1-(1-oxophthalazin-2-yl)sulfanylethyl]phenyl]ethylsulfanyl]phthalazin-1-one CAS Name: 2-[1-[4-[1-[(1-oxo-2-phthalazinyl)thio]ethyl]phenyl]ethylthio]-1-phthalazinone IUPAC Name: 2-[1-[4-[1-(1-oxophthalazin-2-yl)sulfanylethyl]phenyl]ethylsulfanyl]phthalazin-1-one Traditional Name: 2-[1-[4-[1-[(1-ketophthalazin-2-yl)thio]ethyl]phenyl]ethylthio]phthalazin-1-one Formula: C26H22N4O2S2 MolecularWeight: 486.60848

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)C(C)SN2C(=O)C3=CC=CC=C3C=N2)SN4C(=O)C5=CC=CC=C5C=N4

Isomeric SMILES

CC(C1=CC=C(C=C1)C(C)SN2C(=O)C3=CC=CC=C3C=N2)SN4C(=O)C5=CC=CC=C5C=N4

InChI

InChI=1S/C26H22N4O2S2/c1-17(33-29-25(31)23-9-5-3-7-21(23)15-27-29)19-11-13-20(14-12-19)18(2)34-30-26(32)24-10-6-4-8-22(24)16-28-30/h3-18H,1-2H3