2-[1,1-bis(oxidanylidene)thiolan-3-yl]-6-(2-cyclohexyliminopyridin-1-yl)carbonyl-4,5-dihydropyridazin-3-one

Systemtic Name: 2-[1,1-bis(oxidanylidene)thiolan-3-yl]-6-(2-cyclohexyliminopyridin-1-yl)carbonyl-4,5-dihydropyridazin-3-one Openeye Name: 6-(2-cyclohexyliminopyridine-1-carbonyl)-2-(1,1-dioxothiolan-3-yl)-4,5-dihydropyridazin-3-one CAS Name: 6-[(2-cyclohexylimino-1-pyridinyl)-oxomethyl]-2-(1,1-dioxo-3-thiolanyl)-4,5-dihydropyridazin-3-one IUPAC Name: 6-(2-cyclohexyliminopyridine-1-carbonyl)-2-(1,1-dioxothiolan-3-yl)-4,5-dihydropyridazin-3-one Traditional Name: 6-(2-cyclohexyliminopyridine-1-carbonyl)-2-(1,1-diketothiolan-3-yl)-4,5-dihydropyridazin-3-one Formula: C20H26N4O4S MolecularWeight: 418.50984

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N=C2C=CC=CN2C(=O)C3=NN(C(=O)CC3)C4CCS(=O)(=O)C4

Isomeric SMILES

C1CCC(CC1)N=C2C=CC=CN2C(=O)C3=NN(C(=O)CC3)C4CCS(=O)(=O)C4

InChI

InChI=1S/C20H26N4O4S/c25-19-10-9-17(22-24(19)16-11-13-29(27,28)14-16)20(26)23-12-5-4-8-18(23)21-15-6-2-1-3-7-15/h4-5,8,12,15-16H,1-3,6-7,9-11,13-14H2