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

Systemtic Name: 2-[[[1,1-bis(oxidanylidene)thiolan-3-yl]-(thiophen-2-ylmethyl)amino]methyl]phthalazin-1-one Openeye Name: 2-[[(1,1-dioxothiolan-3-yl)-(2-thienylmethyl)amino]methyl]phthalazin-1-one CAS Name: 2-[[(1,1-dioxo-3-thiolanyl)-(thiophen-2-ylmethyl)amino]methyl]-1-phthalazinone IUPAC Name: 2-[[(1,1-dioxothiolan-3-yl)-(thiophen-2-ylmethyl)amino]methyl]phthalazin-1-one Traditional Name: 2-[[(1,1-diketothiolan-3-yl)-(2-thenyl)amino]methyl]phthalazin-1-one Formula: C18H19N3O3S2 MolecularWeight: 389.49176

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1N(CC2=CC=CS2)CN3C(=O)C4=CC=CC=C4C=N3

Isomeric SMILES

C1CS(=O)(=O)CC1N(CC2=CC=CS2)CN3C(=O)C4=CC=CC=C4C=N3

InChI

InChI=1S/C18H19N3O3S2/c22-18-17-6-2-1-4-14(17)10-19-21(18)13-20(11-16-5-3-8-25-16)15-7-9-26(23,24)12-15/h1-6,8,10,15H,7,9,11-13H2