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

Systemtic Name: N'-[2-(3,4-dimethylphenyl)sulfanylethanoyl]-4-oxidanylidene-3-propan-2-yl-phthalazine-1-carbohydrazide Openeye Name: N'-[2-(3,4-dimethylphenyl)sulfanylacetyl]-3-isopropyl-4-oxo-phthalazine-1-carbohydrazide CAS Name: N'-[2-[(3,4-dimethylphenyl)thio]-1-oxoethyl]-4-oxo-3-propan-2-yl-1-phthalazinecarbohydrazide IUPAC Name: N'-[2-(3,4-dimethylphenyl)sulfanylacetyl]-4-oxo-3-propan-2-ylphthalazine-1-carbohydrazide Traditional Name: N'-[2-[(3,4-dimethylphenyl)thio]acetyl]-3-isopropyl-4-keto-phthalazine-1-carbohydrazide Formula: C22H24N4O3S MolecularWeight: 424.51596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N4O3S/c1-13(2)26-22(29)18-8-6-5-7-17(18)20(25-26)21(28)24-23-19(27)12-30-16-10-9-14(3)15(4)11-16/h5-11,13H,12H2,1-4H3,(H,23,27)(H,24,28)