N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-3-methyl-4-oxidanylidene-N-(thiophen-2-ylmethyl)phthalazine-1-carboxamide

Systemtic Name: N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-3-methyl-4-oxidanylidene-N-(thiophen-2-ylmethyl)phthalazine-1-carboxamide Openeye Name: N-[(3S)-1,1-dioxothiolan-3-yl]-3-methyl-4-oxo-N-(2-thienylmethyl)phthalazine-1-carboxamide CAS Name: N-[(3S)-1,1-dioxo-3-thiolanyl]-3-methyl-4-oxo-N-(thiophen-2-ylmethyl)-1-phthalazinecarboxamide IUPAC Name: N-[(3S)-1,1-dioxothiolan-3-yl]-3-methyl-4-oxo-N-(thiophen-2-ylmethyl)phthalazine-1-carboxamide Traditional Name: N-[(3S)-1,1-diketothiolan-3-yl]-4-keto-3-methyl-N-(2-thenyl)phthalazine-1-carboxamide Formula: C19H19N3O4S2 MolecularWeight: 417.50186

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N(CC3=CC=CS3)C4CCS(=O)(=O)C4

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N(CC3=CC=CS3)[C@H]4CCS(=O)(=O)C4

InChI

InChI=1S/C19H19N3O4S2/c1-21-18(23)16-7-3-2-6-15(16)17(20-21)19(24)22(11-14-5-4-9-27-14)13-8-10-28(25,26)12-13/h2-7,9,13H,8,10-12H2,1H3/t13-/m0/s1