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

Systemtic Name: N-[2-[1,1-bis(oxidanylidene)thiolan-3-yl]-5-tert-butyl-pyrazol-3-yl]-2-(4-bromanylphenoxy)ethanamide Openeye Name: 2-(4-bromophenoxy)-N-[5-tert-butyl-2-(1,1-dioxothiolan-3-yl)pyrazol-3-yl]acetamide CAS Name: 2-(4-bromophenoxy)-N-[5-tert-butyl-2-(1,1-dioxo-3-thiolanyl)-3-pyrazolyl]acetamide IUPAC Name: 2-(4-bromophenoxy)-N-[5-tert-butyl-2-(1,1-dioxothiolan-3-yl)pyrazol-3-yl]acetamide Traditional Name: 2-(4-bromophenoxy)-N-[5-tert-butyl-2-(1,1-diketothiolan-3-yl)pyrazol-3-yl]acetamide Formula: C19H24BrN3O4S MolecularWeight: 470.38056

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)NC(=O)COC2=CC=C(C=C2)Br)C3CCS(=O)(=O)C3

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)NC(=O)COC2=CC=C(C=C2)Br)C3CCS(=O)(=O)C3

InChI

InChI=1S/C19H24BrN3O4S/c1-19(2,3)16-10-17(23(22-16)14-8-9-28(25,26)12-14)21-18(24)11-27-15-6-4-13(20)5-7-15/h4-7,10,14H,8-9,11-12H2,1-3H3,(H,21,24)