N-[2-[1,1-bis(oxidanylidene)thiolan-3-yl]-5-tert-butyl-pyrazol-3-yl]-2-(4-phenylmethoxyphenoxy)ethanamide

Systemtic Name: N-[2-[1,1-bis(oxidanylidene)thiolan-3-yl]-5-tert-butyl-pyrazol-3-yl]-2-(4-phenylmethoxyphenoxy)ethanamide Openeye Name: 2-(4-benzyloxyphenoxy)-N-[5-tert-butyl-2-(1,1-dioxothiolan-3-yl)pyrazol-3-yl]acetamide CAS Name: N-[5-tert-butyl-2-(1,1-dioxo-3-thiolanyl)-3-pyrazolyl]-2-(4-phenylmethoxyphenoxy)acetamide IUPAC Name: N-[5-tert-butyl-2-(1,1-dioxothiolan-3-yl)pyrazol-3-yl]-2-(4-phenylmethoxyphenoxy)acetamide Traditional Name: 2-(4-benzoxyphenoxy)-N-[5-tert-butyl-2-(1,1-diketothiolan-3-yl)pyrazol-3-yl]acetamide Formula: C26H31N3O5S MolecularWeight: 497.60644

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)NC(=O)COC2=CC=C(C=C2)OCC3=CC=CC=C3)C4CCS(=O)(=O)C4

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)NC(=O)COC2=CC=C(C=C2)OCC3=CC=CC=C3)C4CCS(=O)(=O)C4

InChI

InChI=1S/C26H31N3O5S/c1-26(2,3)23-15-24(29(28-23)20-13-14-35(31,32)18-20)27-25(30)17-34-22-11-9-21(10-12-22)33-16-19-7-5-4-6-8-19/h4-12,15,20H,13-14,16-18H2,1-3H3,(H,27,30)