N'-[3-(methylsulfanylmethyl)phenyl]carbonyl-4-oxidanylidene-3-pentyl-phthalazine-1-carbohydrazide

Systemtic Name: N'-[3-(methylsulfanylmethyl)phenyl]carbonyl-4-oxidanylidene-3-pentyl-phthalazine-1-carbohydrazide Openeye Name: N'-[3-(methylsulfanylmethyl)benzoyl]-4-oxo-3-pentyl-phthalazine-1-carbohydrazide CAS Name: N'-[[3-[(methylthio)methyl]phenyl]-oxomethyl]-4-oxo-3-pentyl-1-phthalazinecarbohydrazide IUPAC Name: N'-[3-(methylsulfanylmethyl)benzoyl]-4-oxo-3-pentylphthalazine-1-carbohydrazide Traditional Name: 3-amyl-4-keto-N'-[3-[(methylthio)methyl]benzoyl]phthalazine-1-carbohydrazide Formula: C23H26N4O3S MolecularWeight: 438.54254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N4O3S/c1-3-4-7-13-27-23(30)19-12-6-5-11-18(19)20(26-27)22(29)25-24-21(28)17-10-8-9-16(14-17)15-31-2/h5-6,8-12,14H,3-4,7,13,15H2,1-2H3,(H,24,28)(H,25,29)