3-ethyl-4-oxidanylidene-N'-[1-(phenylmethyl)-3-thiophen-2-yl-pyrazol-4-yl]carbonyl-phthalazine-1-carbohydrazide

Systemtic Name: 3-ethyl-4-oxidanylidene-N'-[1-(phenylmethyl)-3-thiophen-2-yl-pyrazol-4-yl]carbonyl-phthalazine-1-carbohydrazide Openeye Name: N'-[1-benzyl-3-(2-thienyl)pyrazole-4-carbonyl]-3-ethyl-4-oxo-phthalazine-1-carbohydrazide CAS Name: 3-ethyl-4-oxo-N'-[oxo-[1-(phenylmethyl)-3-thiophen-2-yl-4-pyrazolyl]methyl]-1-phthalazinecarbohydrazide IUPAC Name: N'-(1-benzyl-3-thiophen-2-ylpyrazole-4-carbonyl)-3-ethyl-4-oxophthalazine-1-carbohydrazide Traditional Name: N'-[1-benzyl-3-(2-thienyl)pyrazole-4-carbonyl]-3-ethyl-4-keto-phthalazine-1-carbohydrazide Formula: C26H22N6O3S MolecularWeight: 498.55628

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)C3=CN(N=C3C4=CC=CS4)CC5=CC=CC=C5

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)C3=CN(N=C3C4=CC=CS4)CC5=CC=CC=C5

InChI

InChI=1S/C26H22N6O3S/c1-2-32-26(35)19-12-7-6-11-18(19)23(30-32)25(34)28-27-24(33)20-16-31(15-17-9-4-3-5-10-17)29-22(20)21-13-8-14-36-21/h3-14,16H,2,15H2,1H3,(H,27,33)(H,28,34)