1-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-2-(4-phenylphthalazin-1-yl)sulfanyl-ethanone

Systemtic Name: 1-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-2-(4-phenylphthalazin-1-yl)sulfanyl-ethanone Openeye Name: 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(4-phenylphthalazin-1-yl)sulfanyl-ethanone CAS Name: 1-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-2-[(4-phenyl-1-phthalazinyl)thio]ethanone IUPAC Name: 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(4-phenylphthalazin-1-yl)sulfanylethanone Traditional Name: 1-[4-(2-furoyl)piperazino]-2-[(4-phenylphthalazin-1-yl)thio]ethanone Formula: C25H22N4O3S MolecularWeight: 458.53218

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CSC2=NN=C(C3=CC=CC=C32)C4=CC=CC=C4)C(=O)C5=CC=CO5

Isomeric SMILES

C1CN(CCN1C(=O)CSC2=NN=C(C3=CC=CC=C32)C4=CC=CC=C4)C(=O)C5=CC=CO5

InChI

InChI=1S/C25H22N4O3S/c30-22(28-12-14-29(15-13-28)25(31)21-11-6-16-32-21)17-33-24-20-10-5-4-9-19(20)23(26-27-24)18-7-2-1-3-8-18/h1-11,16H,12-15,17H2