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

Systemtic Name: 1-[1,1-bis(oxidanylidene)thiolan-3-yl]-N-(3-ethynylphenyl)-6-oxidanylidene-4,5-dihydropyridazine-3-carboxamide Openeye Name: 1-(1,1-dioxothiolan-3-yl)-N-(3-ethynylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide CAS Name: 1-(1,1-dioxo-3-thiolanyl)-N-(3-ethynylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide IUPAC Name: 1-(1,1-dioxothiolan-3-yl)-N-(3-ethynylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide Traditional Name: 1-(1,1-diketothiolan-3-yl)-N-(3-ethynylphenyl)-6-keto-4,5-dihydropyridazine-3-carboxamide Formula: C17H17N3O4S MolecularWeight: 359.39958

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)NC(=O)C2=NN(C(=O)CC2)C3CCS(=O)(=O)C3

Isomeric SMILES

C#CC1=CC(=CC=C1)NC(=O)C2=NN(C(=O)CC2)C3CCS(=O)(=O)C3

InChI

InChI=1S/C17H17N3O4S/c1-2-12-4-3-5-13(10-12)18-17(22)15-6-7-16(21)20(19-15)14-8-9-25(23,24)11-14/h1,3-5,10,14H,6-9,11H2,(H,18,22)