N'-(4-methylsulfanylphenyl)carbonyl-4-oxidanylidene-3-propyl-phthalazine-1-carbohydrazide

Systemtic Name: N'-(4-methylsulfanylphenyl)carbonyl-4-oxidanylidene-3-propyl-phthalazine-1-carbohydrazide Openeye Name: N'-(4-methylsulfanylbenzoyl)-4-oxo-3-propyl-phthalazine-1-carbohydrazide CAS Name: N'-[[4-(methylthio)phenyl]-oxomethyl]-4-oxo-3-propyl-1-phthalazinecarbohydrazide IUPAC Name: N'-(4-methylsulfanylbenzoyl)-4-oxo-3-propylphthalazine-1-carbohydrazide Traditional Name: 4-keto-N'-[4-(methylthio)benzoyl]-3-propyl-phthalazine-1-carbohydrazide Formula: C20H20N4O3S MolecularWeight: 396.4628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4O3S/c1-3-12-24-20(27)16-7-5-4-6-15(16)17(23-24)19(26)22-21-18(25)13-8-10-14(28-2)11-9-13/h4-11H,3,12H2,1-2H3,(H,21,25)(H,22,26)