1-[1,1-bis(oxidanylidene)thiolan-3-yl]-N-(3-morpholin-4-ylpropyl)-5-phenyl-pyrazole-3-carboxamide

Systemtic Name: 1-[1,1-bis(oxidanylidene)thiolan-3-yl]-N-(3-morpholin-4-ylpropyl)-5-phenyl-pyrazole-3-carboxamide Openeye Name: 1-(1,1-dioxothiolan-3-yl)-N-(3-morpholinopropyl)-5-phenyl-pyrazole-3-carboxamide CAS Name: 1-(1,1-dioxo-3-thiolanyl)-N-[3-(4-morpholinyl)propyl]-5-phenyl-3-pyrazolecarboxamide IUPAC Name: 1-(1,1-dioxothiolan-3-yl)-N-(3-morpholin-4-ylpropyl)-5-phenylpyrazole-3-carboxamide Traditional Name: 1-(1,1-diketothiolan-3-yl)-N-(3-morpholinopropyl)-5-phenyl-pyrazole-3-carboxamide Formula: C21H28N4O4S MolecularWeight: 432.53642

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1N2C(=CC(=N2)C(=O)NCCCN3CCOCC3)C4=CC=CC=C4

Isomeric SMILES

C1CS(=O)(=O)CC1N2C(=CC(=N2)C(=O)NCCCN3CCOCC3)C4=CC=CC=C4

InChI

InChI=1S/C21H28N4O4S/c26-21(22-8-4-9-24-10-12-29-13-11-24)19-15-20(17-5-2-1-3-6-17)25(23-19)18-7-14-30(27,28)16-18/h1-3,5-6,15,18H,4,7-14,16H2,(H,22,26)