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

Systemtic Name: 2-[[4-[1,1-bis(oxidanylidene)thiolan-3-yl]piperazin-1-yl]methyl]phthalazin-1-one Openeye Name: 2-[[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]methyl]phthalazin-1-one CAS Name: 2-[[4-(1,1-dioxo-3-thiolanyl)-1-piperazinyl]methyl]-1-phthalazinone IUPAC Name: 2-[[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]methyl]phthalazin-1-one Traditional Name: 2-[[4-(1,1-diketothiolan-3-yl)piperazino]methyl]phthalazin-1-one Formula: C17H22N4O3S MolecularWeight: 362.44658

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1N2CCN(CC2)CN3C(=O)C4=CC=CC=C4C=N3

Isomeric SMILES

C1CS(=O)(=O)CC1N2CCN(CC2)CN3C(=O)C4=CC=CC=C4C=N3

InChI

InChI=1S/C17H22N4O3S/c22-17-16-4-2-1-3-14(16)11-18-21(17)13-19-6-8-20(9-7-19)15-5-10-25(23,24)12-15/h1-4,11,15H,5-10,12-13H2