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

Systemtic Name: N'-[3-(methylsulfanylmethyl)phenyl]carbonyl-4-oxidanylidene-3-propyl-phthalazine-1-carbohydrazide Openeye Name: N'-[3-(methylsulfanylmethyl)benzoyl]-4-oxo-3-propyl-phthalazine-1-carbohydrazide CAS Name: N'-[[3-[(methylthio)methyl]phenyl]-oxomethyl]-4-oxo-3-propyl-1-phthalazinecarbohydrazide IUPAC Name: N'-[3-(methylsulfanylmethyl)benzoyl]-4-oxo-3-propylphthalazine-1-carbohydrazide Traditional Name: 4-keto-N'-[3-[(methylthio)methyl]benzoyl]-3-propyl-phthalazine-1-carbohydrazide Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)C3=CC(=CC=C3)CSC

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)C3=CC(=CC=C3)CSC

InChI

InChI=1S/C21H22N4O3S/c1-3-11-25-21(28)17-10-5-4-9-16(17)18(24-25)20(27)23-22-19(26)15-8-6-7-14(12-15)13-29-2/h4-10,12H,3,11,13H2,1-2H3,(H,22,26)(H,23,27)