[2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 6-oxidanylidene-1-phenyl-4,5-dihydropyridazine-3-carboxylate

Systemtic Name: [2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 6-oxidanylidene-1-phenyl-4,5-dihydropyridazine-3-carboxylate Openeye Name: [2-(3-methylsulfanylanilino)-2-oxo-ethyl] 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate CAS Name: 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylic acid [2-[3-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(3-methylsulfanylanilino)-2-oxoethyl] 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate Traditional Name: 6-keto-1-phenyl-4,5-dihydropyridazine-3-carboxylic acid [2-keto-2-[3-(methylthio)anilino]ethyl] ester Formula: C20H19N3O4S MolecularWeight: 397.44756

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)COC(=O)C2=NN(C(=O)CC2)C3=CC=CC=C3

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)COC(=O)C2=NN(C(=O)CC2)C3=CC=CC=C3

InChI

InChI=1S/C20H19N3O4S/c1-28-16-9-5-6-14(12-16)21-18(24)13-27-20(26)17-10-11-19(25)23(22-17)15-7-3-2-4-8-15/h2-9,12H,10-11,13H2,1H3,(H,21,24)