2-[4-(1-oxidanylidenephthalazin-2-yl)sulfanylbutylsulfanyl]phthalazin-1-one

Systemtic Name: 2-[4-(1-oxidanylidenephthalazin-2-yl)sulfanylbutylsulfanyl]phthalazin-1-one Openeye Name: 2-[4-(1-oxophthalazin-2-yl)sulfanylbutylsulfanyl]phthalazin-1-one CAS Name: 2-[4-[(1-oxo-2-phthalazinyl)thio]butylthio]-1-phthalazinone IUPAC Name: 2-[4-(1-oxophthalazin-2-yl)sulfanylbutylsulfanyl]phthalazin-1-one Traditional Name: 2-[4-[(1-ketophthalazin-2-yl)thio]butylthio]phthalazin-1-one Formula: C20H18N4O2S2 MolecularWeight: 410.51252

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=NN(C2=O)SCCCCSN3C(=O)C4=CC=CC=C4C=N3

Isomeric SMILES

C1=CC=C2C(=C1)C=NN(C2=O)SCCCCSN3C(=O)C4=CC=CC=C4C=N3

InChI

InChI=1S/C20H18N4O2S2/c25-19-17-9-3-1-7-15(17)13-21-23(19)27-11-5-6-12-28-24-20(26)18-10-4-2-8-16(18)14-22-24/h1-4,7-10,13-14H,5-6,11-12H2