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

Systemtic Name: 2-[1,1-bis(oxidanylidene)thiolan-3-yl]-6-(2-cyclohexylimino-4-methyl-pyridin-1-yl)carbonyl-4,5-dihydropyridazin-3-one Openeye Name: 6-(2-cyclohexylimino-4-methyl-pyridine-1-carbonyl)-2-(1,1-dioxothiolan-3-yl)-4,5-dihydropyridazin-3-one CAS Name: 6-[(2-cyclohexylimino-4-methyl-1-pyridinyl)-oxomethyl]-2-(1,1-dioxo-3-thiolanyl)-4,5-dihydropyridazin-3-one IUPAC Name: 6-(2-cyclohexylimino-4-methylpyridine-1-carbonyl)-2-(1,1-dioxothiolan-3-yl)-4,5-dihydropyridazin-3-one Traditional Name: 6-(2-cyclohexylimino-4-methyl-pyridine-1-carbonyl)-2-(1,1-diketothiolan-3-yl)-4,5-dihydropyridazin-3-one Formula: C21H28N4O4S MolecularWeight: 432.53642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2CCCCC2)N(C=C1)C(=O)C3=NN(C(=O)CC3)C4CCS(=O)(=O)C4

Isomeric SMILES

CC1=CC(=NC2CCCCC2)N(C=C1)C(=O)C3=NN(C(=O)CC3)C4CCS(=O)(=O)C4

InChI

InChI=1S/C21H28N4O4S/c1-15-9-11-24(19(13-15)22-16-5-3-2-4-6-16)21(27)18-7-8-20(26)25(23-18)17-10-12-30(28,29)14-17/h9,11,13,16-17H,2-8,10,12,14H2,1H3