3-ethyl-4-oxidanylidene-N'-[2-(phenylmethylsulfanyl)propanoyl]phthalazine-1-carbohydrazide

Systemtic Name: 3-ethyl-4-oxidanylidene-N'-[2-(phenylmethylsulfanyl)propanoyl]phthalazine-1-carbohydrazide Openeye Name: N'-(2-benzylsulfanylpropanoyl)-3-ethyl-4-oxo-phthalazine-1-carbohydrazide CAS Name: 3-ethyl-4-oxo-N'-[1-oxo-2-(phenylmethylthio)propyl]-1-phthalazinecarbohydrazide IUPAC Name: N'-(2-benzylsulfanylpropanoyl)-3-ethyl-4-oxophthalazine-1-carbohydrazide Traditional Name: N'-[2-(benzylthio)propanoyl]-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)C(C)SCC3=CC=CC=C3

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)C(C)SCC3=CC=CC=C3

InChI

InChI=1S/C21H22N4O3S/c1-3-25-21(28)17-12-8-7-11-16(17)18(24-25)20(27)23-22-19(26)14(2)29-13-15-9-5-4-6-10-15/h4-12,14H,3,13H2,1-2H3,(H,22,26)(H,23,27)