N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxidanylidene-2-[2-(4-oxidanylidene-3-propyl-phthalazin-1-yl)carbonylhydrazinyl]ethyl]sulfanyl-ethanamide

Systemtic Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxidanylidene-2-[2-(4-oxidanylidene-3-propyl-phthalazin-1-yl)carbonylhydrazinyl]ethyl]sulfanyl-ethanamide Openeye Name: N-(5-methylisoxazol-3-yl)-2-[2-oxo-2-[2-(4-oxo-3-propyl-phthalazine-1-carbonyl)hydrazino]ethyl]sulfanyl-acetamide CAS Name: N-(5-methyl-3-isoxazolyl)-2-[[2-oxo-2-[[oxo-(4-oxo-3-propyl-1-phthalazinyl)methyl]hydrazo]ethyl]thio]acetamide IUPAC Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-[2-(4-oxo-3-propylphthalazine-1-carbonyl)hydrazinyl]ethyl]sulfanylacetamide Traditional Name: 2-[[2-keto-2-[N'-(4-keto-3-propyl-phthalazine-1-carbonyl)hydrazino]ethyl]thio]-N-(5-methylisoxazol-3-yl)acetamide Formula: C20H22N6O5S MolecularWeight: 458.49088

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)CSCC(=O)NC3=NOC(=C3)C

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)CSCC(=O)NC3=NOC(=C3)C

InChI

InChI=1S/C20H22N6O5S/c1-3-8-26-20(30)14-7-5-4-6-13(14)18(24-26)19(29)23-22-17(28)11-32-10-16(27)21-15-9-12(2)31-25-15/h4-7,9H,3,8,10-11H2,1-2H3,(H,22,28)(H,23,29)(H,21,25,27)