N'-[2-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]ethanoyl]-4-oxidanylidene-3-propyl-phthalazine-1-carbohydrazide

Systemtic Name: N'-[2-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]ethanoyl]-4-oxidanylidene-3-propyl-phthalazine-1-carbohydrazide Openeye Name: N'-[2-[(3S)-1,1-dioxothiolan-3-yl]acetyl]-4-oxo-3-propyl-phthalazine-1-carbohydrazide CAS Name: N'-[2-[(3S)-1,1-dioxo-3-thiolanyl]-1-oxoethyl]-4-oxo-3-propyl-1-phthalazinecarbohydrazide IUPAC Name: N'-[2-[(3S)-1,1-dioxothiolan-3-yl]acetyl]-4-oxo-3-propylphthalazine-1-carbohydrazide Traditional Name: N'-[2-[(3S)-1,1-diketothiolan-3-yl]acetyl]-4-keto-3-propyl-phthalazine-1-carbohydrazide Formula: C18H22N4O5S MolecularWeight: 406.45608

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)CC3CCS(=O)(=O)C3

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)C[C@H]3CCS(=O)(=O)C3

InChI

InChI=1S/C18H22N4O5S/c1-2-8-22-18(25)14-6-4-3-5-13(14)16(21-22)17(24)20-19-15(23)10-12-7-9-28(26,27)11-12/h3-6,12H,2,7-11H2,1H3,(H,19,23)(H,20,24)/t12-/m1/s1