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

Systemtic Name: 2-[[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-butyl-amino]methyl]phthalazin-1-one Openeye Name: 2-[[butyl-[(3S)-1,1-dioxothiolan-3-yl]amino]methyl]phthalazin-1-one CAS Name: 2-[[butyl-[(3S)-1,1-dioxo-3-thiolanyl]amino]methyl]-1-phthalazinone IUPAC Name: 2-[[butyl-[(3S)-1,1-dioxothiolan-3-yl]amino]methyl]phthalazin-1-one Traditional Name: 2-[[butyl-[(3S)-1,1-diketothiolan-3-yl]amino]methyl]phthalazin-1-one Formula: C17H23N3O3S MolecularWeight: 349.44782

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3O3S/c1-2-3-9-19(15-8-10-24(22,23)12-15)13-20-17(21)16-7-5-4-6-14(16)11-18-20/h4-7,11,15H,2-3,8-10,12-13H2,1H3/t15-/m0/s1