4-oxidanylidene-3-pentyl-N'-[(2-sulfanylidene-1H-pyridin-3-yl)carbonyl]phthalazine-1-carbohydrazide

Systemtic Name: 4-oxidanylidene-3-pentyl-N'-[(2-sulfanylidene-1H-pyridin-3-yl)carbonyl]phthalazine-1-carbohydrazide Openeye Name: 4-oxo-3-pentyl-N'-(2-thioxo-1H-pyridine-3-carbonyl)phthalazine-1-carbohydrazide CAS Name: 4-oxo-N'-[oxo-(2-sulfanylidene-1H-pyridin-3-yl)methyl]-3-pentyl-1-phthalazinecarbohydrazide IUPAC Name: 4-oxo-3-pentyl-N'-(2-sulfanylidene-1H-pyridine-3-carbonyl)phthalazine-1-carbohydrazide Traditional Name: 3-amyl-4-keto-N'-(2-thioxo-1H-pyridine-3-carbonyl)phthalazine-1-carbohydrazide Formula: C20H21N5O3S MolecularWeight: 411.47744

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)C3=CC=CNC3=S

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)C3=CC=CNC3=S

InChI

InChI=1S/C20H21N5O3S/c1-2-3-6-12-25-20(28)14-9-5-4-8-13(14)16(24-25)18(27)23-22-17(26)15-10-7-11-21-19(15)29/h4-5,7-11H,2-3,6,12H2,1H3,(H,21,29)(H,22,26)(H,23,27)