2-[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-3-oxidanylidene-piperazin-1-yl]-N-(2-methylsulfanylphenyl)ethanamide

Systemtic Name: 2-[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-3-oxidanylidene-piperazin-1-yl]-N-(2-methylsulfanylphenyl)ethanamide Openeye Name: 2-[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-3-oxo-piperazin-1-yl]-N-(2-methylsulfanylphenyl)acetamide CAS Name: 2-[2-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-3-oxo-1-piperazinyl]-N-[2-(methylthio)phenyl]acetamide IUPAC Name: 2-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-oxopiperazin-1-yl]-N-(2-methylsulfanylphenyl)acetamide Traditional Name: 2-[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-3-keto-piperazino]-N-[2-(methylthio)phenyl]acetamide Formula: C24H27N5O2S MolecularWeight: 449.56848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C3C(=O)NCCN3CC(=O)NC4=CC=CC=C4SC

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)C3C(=O)NCCN3CC(=O)NC4=CC=CC=C4SC

InChI

InChI=1S/C24H27N5O2S/c1-16-22(17(2)29(27-16)18-9-5-4-6-10-18)23-24(31)25-13-14-28(23)15-21(30)26-19-11-7-8-12-20(19)32-3/h4-12,23H,13-15H2,1-3H3,(H,25,31)(H,26,30)