2-[[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-propyl-amino]methyl]phthalazin-1-one

Systemtic Name: 2-[[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-propyl-amino]methyl]phthalazin-1-one Openeye Name: 2-[[[(3S)-1,1-dioxothiolan-3-yl]-propyl-amino]methyl]phthalazin-1-one CAS Name: 2-[[[(3S)-1,1-dioxo-3-thiolanyl]-propylamino]methyl]-1-phthalazinone IUPAC Name: 2-[[[(3S)-1,1-dioxothiolan-3-yl]-propylamino]methyl]phthalazin-1-one Traditional Name: 2-[[[(3S)-1,1-diketothiolan-3-yl]-propyl-amino]methyl]phthalazin-1-one Formula: C16H21N3O3S MolecularWeight: 335.42124

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CN1C(=O)C2=CC=CC=C2C=N1)C3CCS(=O)(=O)C3

Isomeric SMILES

CCCN(CN1C(=O)C2=CC=CC=C2C=N1)[C@H]3CCS(=O)(=O)C3

InChI

InChI=1S/C16H21N3O3S/c1-2-8-18(14-7-9-23(21,22)11-14)12-19-16(20)15-6-4-3-5-13(15)10-17-19/h3-6,10,14H,2,7-9,11-12H2,1H3/t14-/m0/s1