N-[5-tert-butyl-2-(2,4-dimethylphenyl)pyrazol-3-yl]-2-(2-phenylsulfanylethanoylamino)ethanamide

Systemtic Name: N-[5-tert-butyl-2-(2,4-dimethylphenyl)pyrazol-3-yl]-2-(2-phenylsulfanylethanoylamino)ethanamide Openeye Name: N-[5-tert-butyl-2-(2,4-dimethylphenyl)pyrazol-3-yl]-2-[(2-phenylsulfanylacetyl)amino]acetamide CAS Name: N-[5-tert-butyl-2-(2,4-dimethylphenyl)-3-pyrazolyl]-2-[[1-oxo-2-(phenylthio)ethyl]amino]acetamide IUPAC Name: N-[5-tert-butyl-2-(2,4-dimethylphenyl)pyrazol-3-yl]-2-[(2-phenylsulfanylacetyl)amino]acetamide Traditional Name: N-[5-tert-butyl-2-(2,4-dimethylphenyl)pyrazol-3-yl]-2-[[2-(phenylthio)acetyl]amino]acetamide Formula: C25H30N4O2S MolecularWeight: 450.5963

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)CNC(=O)CSC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)CNC(=O)CSC3=CC=CC=C3)C

InChI

InChI=1S/C25H30N4O2S/c1-17-11-12-20(18(2)13-17)29-22(14-21(28-29)25(3,4)5)27-23(30)15-26-24(31)16-32-19-9-7-6-8-10-19/h6-14H,15-16H2,1-5H3,(H,26,31)(H,27,30)