(4-cyanophenyl)methyl 1-[1,1-bis(oxidanylidene)thiolan-3-yl]-6-oxidanylidene-4,5-dihydropyridazine-3-carboxylate

Systemtic Name: (4-cyanophenyl)methyl 1-[1,1-bis(oxidanylidene)thiolan-3-yl]-6-oxidanylidene-4,5-dihydropyridazine-3-carboxylate Openeye Name: (4-cyanophenyl)methyl 1-(1,1-dioxothiolan-3-yl)-6-oxo-4,5-dihydropyridazine-3-carboxylate CAS Name: 1-(1,1-dioxo-3-thiolanyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 1-(1,1-dioxothiolan-3-yl)-6-oxo-4,5-dihydropyridazine-3-carboxylate Traditional Name: 1-(1,1-diketothiolan-3-yl)-6-keto-4,5-dihydropyridazine-3-carboxylic acid (4-cyanobenzyl) ester Formula: C17H17N3O5S MolecularWeight: 375.39898

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1N2C(=O)CCC(=N2)C(=O)OCC3=CC=C(C=C3)C#N

Isomeric SMILES

C1CS(=O)(=O)CC1N2C(=O)CCC(=N2)C(=O)OCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C17H17N3O5S/c18-9-12-1-3-13(4-2-12)10-25-17(22)15-5-6-16(21)20(19-15)14-7-8-26(23,24)11-14/h1-4,14H,5-8,10-11H2