1-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-5-cyclopropyl-N-quinolin-8-yl-pyrazole-3-carboxamide

Systemtic Name: 1-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-5-cyclopropyl-N-quinolin-8-yl-pyrazole-3-carboxamide Openeye Name: 5-cyclopropyl-1-[(3S)-1,1-dioxothiolan-3-yl]-N-(8-quinolyl)pyrazole-3-carboxamide CAS Name: 5-cyclopropyl-1-[(3S)-1,1-dioxo-3-thiolanyl]-N-(8-quinolinyl)-3-pyrazolecarboxamide IUPAC Name: 5-cyclopropyl-1-[(3S)-1,1-dioxothiolan-3-yl]-N-quinolin-8-ylpyrazole-3-carboxamide Traditional Name: 5-cyclopropyl-1-[(3S)-1,1-diketothiolan-3-yl]-N-(8-quinolyl)pyrazole-3-carboxamide Formula: C20H20N4O3S MolecularWeight: 396.4628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=CC(=NN2C3CCS(=O)(=O)C3)C(=O)NC4=CC=CC5=C4N=CC=C5

Isomeric SMILES

C1CS(=O)(=O)C[C@H]1N2C(=CC(=N2)C(=O)NC3=CC=CC4=C3N=CC=C4)C5CC5

InChI

InChI=1S/C20H20N4O3S/c25-20(22-16-5-1-3-14-4-2-9-21-19(14)16)17-11-18(13-6-7-13)24(23-17)15-8-10-28(26,27)12-15/h1-5,9,11,13,15H,6-8,10,12H2,(H,22,25)/t15-/m0/s1