N-[2-[1,1-bis(oxidanylidene)thiolan-3-yl]-5-tert-butyl-pyrazol-3-yl]-7-bromanyl-1-benzofuran-2-carboxamide

Systemtic Name: N-[2-[1,1-bis(oxidanylidene)thiolan-3-yl]-5-tert-butyl-pyrazol-3-yl]-7-bromanyl-1-benzofuran-2-carboxamide Openeye Name: 7-bromo-N-[5-tert-butyl-2-(1,1-dioxothiolan-3-yl)pyrazol-3-yl]benzofuran-2-carboxamide CAS Name: 7-bromo-N-[5-tert-butyl-2-(1,1-dioxo-3-thiolanyl)-3-pyrazolyl]-2-benzofurancarboxamide IUPAC Name: 7-bromo-N-[5-tert-butyl-2-(1,1-dioxothiolan-3-yl)pyrazol-3-yl]-1-benzofuran-2-carboxamide Traditional Name: 7-bromo-N-[5-tert-butyl-2-(1,1-diketothiolan-3-yl)pyrazol-3-yl]coumarilamide Formula: C20H22BrN3O4S MolecularWeight: 480.37538

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)NC(=O)C2=CC3=C(O2)C(=CC=C3)Br)C4CCS(=O)(=O)C4

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)NC(=O)C2=CC3=C(O2)C(=CC=C3)Br)C4CCS(=O)(=O)C4

InChI

InChI=1S/C20H22BrN3O4S/c1-20(2,3)16-10-17(24(23-16)13-7-8-29(26,27)11-13)22-19(25)15-9-12-5-4-6-14(21)18(12)28-15/h4-6,9-10,13H,7-8,11H2,1-3H3,(H,22,25)