2-[[4-[1,1-bis(oxidanylidene)thiolan-3-yl]piperazin-1-yl]methyl]-4-methyl-phthalazin-1-one

Systemtic Name: 2-[[4-[1,1-bis(oxidanylidene)thiolan-3-yl]piperazin-1-yl]methyl]-4-methyl-phthalazin-1-one Openeye Name: 2-[[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]methyl]-4-methyl-phthalazin-1-one CAS Name: 2-[[4-(1,1-dioxo-3-thiolanyl)-1-piperazinyl]methyl]-4-methyl-1-phthalazinone IUPAC Name: 2-[[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]methyl]-4-methylphthalazin-1-one Traditional Name: 2-[[4-(1,1-diketothiolan-3-yl)piperazino]methyl]-4-methyl-phthalazin-1-one Formula: C18H24N4O3S MolecularWeight: 376.47316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C2=CC=CC=C12)CN3CCN(CC3)C4CCS(=O)(=O)C4

Isomeric SMILES

CC1=NN(C(=O)C2=CC=CC=C12)CN3CCN(CC3)C4CCS(=O)(=O)C4

InChI

InChI=1S/C18H24N4O3S/c1-14-16-4-2-3-5-17(16)18(23)22(19-14)13-20-7-9-21(10-8-20)15-6-11-26(24,25)12-15/h2-5,15H,6-13H2,1H3