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

Systemtic Name: 2-[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-3-oxidanylidene-piperazin-1-yl]-N-(2-prop-2-enylsulfanylphenyl)ethanamide Openeye Name: N-(2-allylsulfanylphenyl)-2-[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-3-oxo-piperazin-1-yl]acetamide CAS Name: 2-[2-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-3-oxo-1-piperazinyl]-N-[2-(prop-2-enylthio)phenyl]acetamide IUPAC Name: 2-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-oxopiperazin-1-yl]-N-(2-prop-2-enylsulfanylphenyl)acetamide Traditional Name: N-[2-(allylthio)phenyl]-2-[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-3-keto-piperazino]acetamide Formula: C26H29N5O2S MolecularWeight: 475.60576

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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=C4SCC=C

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)C3C(=O)NCCN3CC(=O)NC4=CC=CC=C4SCC=C

InChI

InChI=1S/C26H29N5O2S/c1-4-16-34-22-13-9-8-12-21(22)28-23(32)17-30-15-14-27-26(33)25(30)24-18(2)29-31(19(24)3)20-10-6-5-7-11-20/h4-13,25H,1,14-17H2,2-3H3,(H,27,33)(H,28,32)