N'-[2-(2,5-dimethylphenyl)sulfanylethanoyl]-3-methyl-4-oxidanylidene-phthalazine-1-carbohydrazide

Systemtic Name: N'-[2-(2,5-dimethylphenyl)sulfanylethanoyl]-3-methyl-4-oxidanylidene-phthalazine-1-carbohydrazide Openeye Name: N'-[2-(2,5-dimethylphenyl)sulfanylacetyl]-3-methyl-4-oxo-phthalazine-1-carbohydrazide CAS Name: N'-[2-[(2,5-dimethylphenyl)thio]-1-oxoethyl]-3-methyl-4-oxo-1-phthalazinecarbohydrazide IUPAC Name: N'-[2-(2,5-dimethylphenyl)sulfanylacetyl]-3-methyl-4-oxophthalazine-1-carbohydrazide Traditional Name: N'-[2-[(2,5-dimethylphenyl)thio]acetyl]-4-keto-3-methyl-phthalazine-1-carbohydrazide Formula: C20H20N4O3S MolecularWeight: 396.4628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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