ethyl 3-[5-cyano-4-[4-methyl-3,6-bis(oxidanylidene)-1H-pyridazin-2-yl]-6-methylsulfanyl-pyrimidin-2-yl]benzoate

Systemtic Name: ethyl 3-[5-cyano-4-[4-methyl-3,6-bis(oxidanylidene)-1H-pyridazin-2-yl]-6-methylsulfanyl-pyrimidin-2-yl]benzoate Openeye Name: ethyl 3-[5-cyano-4-(4-methyl-3,6-dioxo-1H-pyridazin-2-yl)-6-methylsulfanyl-pyrimidin-2-yl]benzoate CAS Name: 3-[5-cyano-4-(4-methyl-3,6-dioxo-1H-pyridazin-2-yl)-6-(methylthio)-2-pyrimidinyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-[5-cyano-4-(4-methyl-3,6-dioxo-1H-pyridazin-2-yl)-6-methylsulfanylpyrimidin-2-yl]benzoate Traditional Name: 3-[5-cyano-4-(3,6-diketo-4-methyl-1H-pyridazin-2-yl)-6-(methylthio)pyrimidin-2-yl]benzoic acid ethyl ester Formula: C20H17N5O4S MolecularWeight: 423.44508

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC(=C1)C2=NC(=C(C(=N2)SC)C#N)N3C(=O)C(=CC(=O)N3)C

Isomeric SMILES

CCOC(=O)C1=CC=CC(=C1)C2=NC(=C(C(=N2)SC)C#N)N3C(=O)C(=CC(=O)N3)C

InChI

InChI=1S/C20H17N5O4S/c1-4-29-20(28)13-7-5-6-12(9-13)16-22-17(14(10-21)18(23-16)30-3)25-19(27)11(2)8-15(26)24-25/h5-9H,4H2,1-3H3,(H,24,26)