N-[1,1-bis(oxidanylidene)thiolan-3-yl]-3-butyl-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-[1,1-bis(oxidanylidene)thiolan-3-yl]-3-butyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-butyl-N-(1,1-dioxothiolan-3-yl)-4-oxo-phthalazine-1-carboxamide CAS Name: 3-butyl-N-(1,1-dioxo-3-thiolanyl)-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-butyl-N-(1,1-dioxothiolan-3-yl)-4-oxophthalazine-1-carboxamide Traditional Name: 3-butyl-N-(1,1-diketothiolan-3-yl)-4-keto-phthalazine-1-carboxamide Formula: C17H21N3O4S MolecularWeight: 363.43134

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3CCS(=O)(=O)C3

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3CCS(=O)(=O)C3

InChI

InChI=1S/C17H21N3O4S/c1-2-3-9-20-17(22)14-7-5-4-6-13(14)15(19-20)16(21)18-12-8-10-25(23,24)11-12/h4-7,12H,2-3,8-11H2,1H3,(H,18,21)