N-[2-[1,1-bis(oxidanylidene)thiolan-3-yl]-5-tert-butyl-pyrazol-3-yl]-2-oxidanylidene-1H-quinoline-4-carboxamide

Systemtic Name: N-[2-[1,1-bis(oxidanylidene)thiolan-3-yl]-5-tert-butyl-pyrazol-3-yl]-2-oxidanylidene-1H-quinoline-4-carboxamide Openeye Name: N-[5-tert-butyl-2-(1,1-dioxothiolan-3-yl)pyrazol-3-yl]-2-oxo-1H-quinoline-4-carboxamide CAS Name: N-[5-tert-butyl-2-(1,1-dioxo-3-thiolanyl)-3-pyrazolyl]-2-oxo-1H-quinoline-4-carboxamide IUPAC Name: N-[5-tert-butyl-2-(1,1-dioxothiolan-3-yl)pyrazol-3-yl]-2-oxo-1H-quinoline-4-carboxamide Traditional Name: N-[5-tert-butyl-2-(1,1-diketothiolan-3-yl)pyrazol-3-yl]-2-keto-1H-quinoline-4-carboxamide Formula: C21H24N4O4S MolecularWeight: 428.50466

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)NC(=O)C2=CC(=O)NC3=CC=CC=C32)C4CCS(=O)(=O)C4

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)NC(=O)C2=CC(=O)NC3=CC=CC=C32)C4CCS(=O)(=O)C4

InChI

InChI=1S/C21H24N4O4S/c1-21(2,3)17-11-18(25(24-17)13-8-9-30(28,29)12-13)23-20(27)15-10-19(26)22-16-7-5-4-6-14(15)16/h4-7,10-11,13H,8-9,12H2,1-3H3,(H,22,26)(H,23,27)