N-(1-adamantyl)-1-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-N-ethyl-6-oxidanylidene-4,5-dihydropyridazine-3-carboxamide

Systemtic Name: N-(1-adamantyl)-1-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-N-ethyl-6-oxidanylidene-4,5-dihydropyridazine-3-carboxamide Openeye Name: N-(1-adamantyl)-1-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-6-oxo-4,5-dihydropyridazine-3-carboxamide CAS Name: N-(1-adamantyl)-1-[(3S)-1,1-dioxo-3-thiolanyl]-N-ethyl-6-oxo-4,5-dihydropyridazine-3-carboxamide IUPAC Name: N-(1-adamantyl)-1-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-6-oxo-4,5-dihydropyridazine-3-carboxamide Traditional Name: N-(1-adamantyl)-1-[(3S)-1,1-diketothiolan-3-yl]-N-ethyl-6-keto-4,5-dihydropyridazine-3-carboxamide Formula: C21H31N3O4S MolecularWeight: 421.55354

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C(=O)C1=NN(C(=O)CC1)C2CCS(=O)(=O)C2)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCN(C(=O)C1=NN(C(=O)CC1)[C@H]2CCS(=O)(=O)C2)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C21H31N3O4S/c1-2-23(21-10-14-7-15(11-21)9-16(8-14)12-21)20(26)18-3-4-19(25)24(22-18)17-5-6-29(27,28)13-17/h14-17H,2-13H2,1H3/t14?,15?,16?,17-,21?/m0/s1