N'-[3-(3,4-dimethylphenyl)sulfanylpropanoyl]-4-oxidanylidene-3H-phthalazine-1-carbohydrazide

Systemtic Name: N'-[3-(3,4-dimethylphenyl)sulfanylpropanoyl]-4-oxidanylidene-3H-phthalazine-1-carbohydrazide Openeye Name: N'-[3-(3,4-dimethylphenyl)sulfanylpropanoyl]-4-oxo-3H-phthalazine-1-carbohydrazide CAS Name: N'-[3-[(3,4-dimethylphenyl)thio]-1-oxopropyl]-4-oxo-3H-phthalazine-1-carbohydrazide IUPAC Name: N'-[3-(3,4-dimethylphenyl)sulfanylpropanoyl]-4-oxo-3H-phthalazine-1-carbohydrazide Traditional Name: N'-[3-[(3,4-dimethylphenyl)thio]propanoyl]-4-keto-3H-phthalazine-1-carbohydrazide Formula: C20H20N4O3S MolecularWeight: 396.4628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCCC(=O)NNC(=O)C2=NNC(=O)C3=CC=CC=C32)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCCC(=O)NNC(=O)C2=NNC(=O)C3=CC=CC=C32)C

InChI

InChI=1S/C20H20N4O3S/c1-12-7-8-14(11-13(12)2)28-10-9-17(25)21-24-20(27)18-15-5-3-4-6-16(15)19(26)23-22-18/h3-8,11H,9-10H2,1-2H3,(H,21,25)(H,23,26)(H,24,27)