N'-[2-(3,4-dimethylphenyl)sulfanylethanoyl]-3-ethyl-4-oxidanylidene-phthalazine-1-carbohydrazide

Systemtic Name: N'-[2-(3,4-dimethylphenyl)sulfanylethanoyl]-3-ethyl-4-oxidanylidene-phthalazine-1-carbohydrazide Openeye Name: N'-[2-(3,4-dimethylphenyl)sulfanylacetyl]-3-ethyl-4-oxo-phthalazine-1-carbohydrazide CAS Name: N'-[2-[(3,4-dimethylphenyl)thio]-1-oxoethyl]-3-ethyl-4-oxo-1-phthalazinecarbohydrazide IUPAC Name: N'-[2-(3,4-dimethylphenyl)sulfanylacetyl]-3-ethyl-4-oxophthalazine-1-carbohydrazide Traditional Name: N'-[2-[(3,4-dimethylphenyl)thio]acetyl]-3-ethyl-4-keto-phthalazine-1-carbohydrazide Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)CSC3=CC(=C(C=C3)C)C

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)CSC3=CC(=C(C=C3)C)C

InChI

InChI=1S/C21H22N4O3S/c1-4-25-21(28)17-8-6-5-7-16(17)19(24-25)20(27)23-22-18(26)12-29-15-10-9-13(2)14(3)11-15/h5-11H,4,12H2,1-3H3,(H,22,26)(H,23,27)