ethyl 6-methylsulfanyl-2-morpholin-2-yl-3-pyridazin-3-yl-benzenecarboperoxoate

Systemtic Name: ethyl 6-methylsulfanyl-2-morpholin-2-yl-3-pyridazin-3-yl-benzenecarboperoxoate Openeye Name: ethyl 6-methylsulfanyl-2-morpholin-2-yl-3-pyridazin-3-yl-benzenecarboperoxoate CAS Name: 6-(methylthio)-2-(2-morpholinyl)-3-(3-pyridazinyl)benzenecarboperoxoic acid ethyl ester IUPAC Name: ethyl 6-methylsulfanyl-2-morpholin-2-yl-3-pyridazin-3-ylbenzenecarboperoxoate Traditional Name: 6-(methylthio)-2-morpholin-2-yl-3-pyridazin-3-yl-benzenecarboperoxoic acid ethyl ester Formula: C18H21N3O4S MolecularWeight: 375.44204

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Descriptors Computed from Structure

Canonical SMILES:

CCOOC(=O)C1=C(C=CC(=C1C2CNCCO2)C3=NN=CC=C3)SC

Isomeric SMILES

CCOOC(=O)C1=C(C=CC(=C1C2CNCCO2)C3=NN=CC=C3)SC

InChI

InChI=1S/C18H21N3O4S/c1-3-24-25-18(22)17-15(26-2)7-6-12(13-5-4-8-20-21-13)16(17)14-11-19-9-10-23-14/h4-8,14,19H,3,9-11H2,1-2H3