1-[1,1-bis(oxidanylidene)thiolan-3-yl]-N-(3,3-dimethyl-1-phenyl-butyl)-6-oxidanylidene-4,5-dihydropyridazine-3-carboxamide

Systemtic Name: 1-[1,1-bis(oxidanylidene)thiolan-3-yl]-N-(3,3-dimethyl-1-phenyl-butyl)-6-oxidanylidene-4,5-dihydropyridazine-3-carboxamide Openeye Name: N-(3,3-dimethyl-1-phenyl-butyl)-1-(1,1-dioxothiolan-3-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide CAS Name: N-(3,3-dimethyl-1-phenylbutyl)-1-(1,1-dioxo-3-thiolanyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide IUPAC Name: N-(3,3-dimethyl-1-phenylbutyl)-1-(1,1-dioxothiolan-3-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide Traditional Name: 1-(1,1-diketothiolan-3-yl)-N-(3,3-dimethyl-1-phenyl-butyl)-6-keto-4,5-dihydropyridazine-3-carboxamide Formula: C21H29N3O4S MolecularWeight: 419.53766

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(C1=CC=CC=C1)NC(=O)C2=NN(C(=O)CC2)C3CCS(=O)(=O)C3

Isomeric SMILES

CC(C)(C)CC(C1=CC=CC=C1)NC(=O)C2=NN(C(=O)CC2)C3CCS(=O)(=O)C3

InChI

InChI=1S/C21H29N3O4S/c1-21(2,3)13-18(15-7-5-4-6-8-15)22-20(26)17-9-10-19(25)24(23-17)16-11-12-29(27,28)14-16/h4-8,16,18H,9-14H2,1-3H3,(H,22,26)