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

Systemtic Name: N-[2-[1,1-bis(oxidanylidene)thiolan-3-yl]-5-tert-butyl-pyrazol-3-yl]-2-(3-methoxy-4-methyl-phenyl)ethanamide Openeye Name: N-[5-tert-butyl-2-(1,1-dioxothiolan-3-yl)pyrazol-3-yl]-2-(3-methoxy-4-methyl-phenyl)acetamide CAS Name: N-[5-tert-butyl-2-(1,1-dioxo-3-thiolanyl)-3-pyrazolyl]-2-(3-methoxy-4-methylphenyl)acetamide IUPAC Name: N-[5-tert-butyl-2-(1,1-dioxothiolan-3-yl)pyrazol-3-yl]-2-(3-methoxy-4-methylphenyl)acetamide Traditional Name: N-[5-tert-butyl-2-(1,1-diketothiolan-3-yl)pyrazol-3-yl]-2-(3-methoxy-4-methyl-phenyl)acetamide Formula: C21H29N3O4S MolecularWeight: 419.53766

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CC(=O)NC2=CC(=NN2C3CCS(=O)(=O)C3)C(C)(C)C)OC

Isomeric SMILES

CC1=C(C=C(C=C1)CC(=O)NC2=CC(=NN2C3CCS(=O)(=O)C3)C(C)(C)C)OC

InChI

InChI=1S/C21H29N3O4S/c1-14-6-7-15(10-17(14)28-5)11-20(25)22-19-12-18(21(2,3)4)23-24(19)16-8-9-29(26,27)13-16/h6-7,10,12,16H,8-9,11,13H2,1-5H3,(H,22,25)