N'-[4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]phenyl]carbonyl-4-oxidanylidene-3H-phthalazine-1-carbohydrazide

Systemtic Name: N'-[4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]phenyl]carbonyl-4-oxidanylidene-3H-phthalazine-1-carbohydrazide Openeye Name: N'-[4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzoyl]-4-oxo-3H-phthalazine-1-carbohydrazide CAS Name: N'-[[4-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]phenyl]-oxomethyl]-4-oxo-3H-phthalazine-1-carbohydrazide IUPAC Name: N'-[4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzoyl]-4-oxo-3H-phthalazine-1-carbohydrazide Traditional Name: N'-[4-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]benzoyl]-4-keto-3H-phthalazine-1-carbohydrazide Formula: C23H20N6O3S MolecularWeight: 460.5083

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NNC(=O)C3=NNC(=O)C4=CC=CC=C43)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NNC(=O)C3=NNC(=O)C4=CC=CC=C43)C

InChI

InChI=1S/C23H20N6O3S/c1-13-11-14(2)25-23(24-13)33-12-15-7-9-16(10-8-15)20(30)27-29-22(32)19-17-5-3-4-6-18(17)21(31)28-26-19/h3-11H,12H2,1-2H3,(H,27,30)(H,28,31)(H,29,32)