1-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-N-(4-bromanyl-3-methyl-phenyl)-6-oxidanylidene-4,5-dihydropyridazine-3-carboxamide

Systemtic Name: 1-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-N-(4-bromanyl-3-methyl-phenyl)-6-oxidanylidene-4,5-dihydropyridazine-3-carboxamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-1-[(3S)-1,1-dioxothiolan-3-yl]-6-oxo-4,5-dihydropyridazine-3-carboxamide CAS Name: N-(4-bromo-3-methylphenyl)-1-[(3S)-1,1-dioxo-3-thiolanyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide IUPAC Name: N-(4-bromo-3-methylphenyl)-1-[(3S)-1,1-dioxothiolan-3-yl]-6-oxo-4,5-dihydropyridazine-3-carboxamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-1-[(3S)-1,1-diketothiolan-3-yl]-6-keto-4,5-dihydropyridazine-3-carboxamide Formula: C16H18BrN3O4S MolecularWeight: 428.30082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C2=NN(C(=O)CC2)[C@H]3CCS(=O)(=O)C3)Br

InChI

InChI=1S/C16H18BrN3O4S/c1-10-8-11(2-3-13(10)17)18-16(22)14-4-5-15(21)20(19-14)12-6-7-25(23,24)9-12/h2-3,8,12H,4-7,9H2,1H3,(H,18,22)/t12-/m0/s1