4-oxidanylidene-3-pentyl-N'-(2-phenylsulfanylpyridin-3-yl)carbonyl-phthalazine-1-carbohydrazide

Systemtic Name: 4-oxidanylidene-3-pentyl-N'-(2-phenylsulfanylpyridin-3-yl)carbonyl-phthalazine-1-carbohydrazide Openeye Name: 4-oxo-3-pentyl-N'-(2-phenylsulfanylpyridine-3-carbonyl)phthalazine-1-carbohydrazide CAS Name: 4-oxo-N'-[oxo-[2-(phenylthio)-3-pyridinyl]methyl]-3-pentyl-1-phthalazinecarbohydrazide IUPAC Name: 4-oxo-3-pentyl-N'-(2-phenylsulfanylpyridine-3-carbonyl)phthalazine-1-carbohydrazide Traditional Name: 3-amyl-4-keto-N'-[2-(phenylthio)nicotinoyl]phthalazine-1-carbohydrazide Formula: C26H25N5O3S MolecularWeight: 487.5734

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)C3=C(N=CC=C3)SC4=CC=CC=C4

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)C3=C(N=CC=C3)SC4=CC=CC=C4

InChI

InChI=1S/C26H25N5O3S/c1-2-3-9-17-31-26(34)20-14-8-7-13-19(20)22(30-31)24(33)29-28-23(32)21-15-10-16-27-25(21)35-18-11-5-4-6-12-18/h4-8,10-16H,2-3,9,17H2,1H3,(H,28,32)(H,29,33)