N-[5-tert-butyl-2-(2,3-dimethylphenyl)pyrazol-3-yl]-2-[2-phenylsulfanylethanoyl(propyl)amino]ethanamide

Systemtic Name: N-[5-tert-butyl-2-(2,3-dimethylphenyl)pyrazol-3-yl]-2-[2-phenylsulfanylethanoyl(propyl)amino]ethanamide Openeye Name: N-[5-tert-butyl-2-(2,3-dimethylphenyl)pyrazol-3-yl]-2-[(2-phenylsulfanylacetyl)-propyl-amino]acetamide CAS Name: N-[5-tert-butyl-2-(2,3-dimethylphenyl)-3-pyrazolyl]-2-[[1-oxo-2-(phenylthio)ethyl]-propylamino]acetamide IUPAC Name: N-[5-tert-butyl-2-(2,3-dimethylphenyl)pyrazol-3-yl]-2-[(2-phenylsulfanylacetyl)-propylamino]acetamide Traditional Name: N-[5-tert-butyl-2-(2,3-dimethylphenyl)pyrazol-3-yl]-2-[[2-(phenylthio)acetyl]-propyl-amino]acetamide Formula: C28H36N4O2S MolecularWeight: 492.67604

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC(=O)NC1=CC(=NN1C2=CC=CC(=C2C)C)C(C)(C)C)C(=O)CSC3=CC=CC=C3

Isomeric SMILES

CCCN(CC(=O)NC1=CC(=NN1C2=CC=CC(=C2C)C)C(C)(C)C)C(=O)CSC3=CC=CC=C3

InChI

InChI=1S/C28H36N4O2S/c1-7-16-31(27(34)19-35-22-13-9-8-10-14-22)18-26(33)29-25-17-24(28(4,5)6)30-32(25)23-15-11-12-20(2)21(23)3/h8-15,17H,7,16,18-19H2,1-6H3,(H,29,33)