4-oxidanylidene-3-pentyl-N'-[2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethanoyl]phthalazine-1-carbohydrazide

Systemtic Name: 4-oxidanylidene-3-pentyl-N'-[2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethanoyl]phthalazine-1-carbohydrazide Openeye Name: 4-oxo-3-pentyl-N'-[2-(3-propyl-5-thioxo-1H-1,2,4-triazol-4-yl)acetyl]phthalazine-1-carbohydrazide CAS Name: 4-oxo-N'-[1-oxo-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethyl]-3-pentyl-1-phthalazinecarbohydrazide IUPAC Name: 4-oxo-3-pentyl-N'-[2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)acetyl]phthalazine-1-carbohydrazide Traditional Name: 3-amyl-4-keto-N'-[2-(3-propyl-5-thioxo-1H-1,2,4-triazol-4-yl)acetyl]phthalazine-1-carbohydrazide Formula: C21H27N7O3S MolecularWeight: 457.54918

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)CN3C(=NNC3=S)CCC

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)CN3C(=NNC3=S)CCC

InChI

InChI=1S/C21H27N7O3S/c1-3-5-8-12-28-20(31)15-11-7-6-10-14(15)18(26-28)19(30)24-23-17(29)13-27-16(9-4-2)22-25-21(27)32/h6-7,10-11H,3-5,8-9,12-13H2,1-2H3,(H,23,29)(H,24,30)(H,25,32)