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

Systemtic Name: 2-[[[1,1-bis(oxidanylidene)thiolan-3-yl]-(thiophen-2-ylmethyl)amino]methyl]-4-thiophen-2-yl-phthalazin-1-one Openeye Name: 2-[[(1,1-dioxothiolan-3-yl)-(2-thienylmethyl)amino]methyl]-4-(2-thienyl)phthalazin-1-one CAS Name: 2-[[(1,1-dioxo-3-thiolanyl)-(thiophen-2-ylmethyl)amino]methyl]-4-thiophen-2-yl-1-phthalazinone IUPAC Name: 2-[[(1,1-dioxothiolan-3-yl)-(thiophen-2-ylmethyl)amino]methyl]-4-thiophen-2-ylphthalazin-1-one Traditional Name: 2-[[(1,1-diketothiolan-3-yl)-(2-thenyl)amino]methyl]-4-(2-thienyl)phthalazin-1-one Formula: C22H21N3O3S3 MolecularWeight: 471.61544

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1N(CC2=CC=CS2)CN3C(=O)C4=CC=CC=C4C(=N3)C5=CC=CS5

Isomeric SMILES

C1CS(=O)(=O)CC1N(CC2=CC=CS2)CN3C(=O)C4=CC=CC=C4C(=N3)C5=CC=CS5

InChI

InChI=1S/C22H21N3O3S3/c26-22-19-7-2-1-6-18(19)21(20-8-4-11-30-20)23-25(22)15-24(13-17-5-3-10-29-17)16-9-12-31(27,28)14-16/h1-8,10-11,16H,9,12-15H2