2-[18-(1-oxidanylidenephthalazin-2-yl)sulfanyloctadecylsulfanyl]phthalazin-1-one

Systemtic Name: 2-[18-(1-oxidanylidenephthalazin-2-yl)sulfanyloctadecylsulfanyl]phthalazin-1-one Openeye Name: 2-[18-(1-oxophthalazin-2-yl)sulfanyloctadecylsulfanyl]phthalazin-1-one CAS Name: 2-[18-[(1-oxo-2-phthalazinyl)thio]octadecylthio]-1-phthalazinone IUPAC Name: 2-[18-(1-oxophthalazin-2-yl)sulfanyloctadecylsulfanyl]phthalazin-1-one Traditional Name: 2-[18-[(1-ketophthalazin-2-yl)thio]octadecylthio]phthalazin-1-one Formula: C34H46N4O2S2 MolecularWeight: 606.88464

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=NN(C2=O)SCCCCCCCCCCCCCCCCCCSN3C(=O)C4=CC=CC=C4C=N3

Isomeric SMILES

C1=CC=C2C(=C1)C=NN(C2=O)SCCCCCCCCCCCCCCCCCCSN3C(=O)C4=CC=CC=C4C=N3

InChI

InChI=1S/C34H46N4O2S2/c39-33-31-23-17-15-21-29(31)27-35-37(33)41-25-19-13-11-9-7-5-3-1-2-4-6-8-10-12-14-20-26-42-38-34(40)32-24-18-16-22-30(32)28-36-38/h15-18,21-24,27-28H,1-14,19-20,25-26H2