ethyl 2-[5-chloranyl-4-[cyano-(4-methylphenyl)sulfonyl-methyl]-6-oxidanylidene-pyridazin-1-yl]ethanoate

Systemtic Name: ethyl 2-[5-chloranyl-4-[cyano-(4-methylphenyl)sulfonyl-methyl]-6-oxidanylidene-pyridazin-1-yl]ethanoate Openeye Name: ethyl 2-[5-chloro-4-[cyano(p-tolylsulfonyl)methyl]-6-oxo-pyridazin-1-yl]acetate CAS Name: 2-[5-chloro-4-[cyano-(4-methylphenyl)sulfonylmethyl]-6-oxo-1-pyridazinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[5-chloro-4-[cyano-(4-methylphenyl)sulfonylmethyl]-6-oxopyridazin-1-yl]acetate Traditional Name: 2-[5-chloro-4-[cyano(tosyl)methyl]-6-keto-pyridazin-1-yl]acetic acid ethyl ester Formula: C17H16ClN3O5S MolecularWeight: 409.84404

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C(=O)C(=C(C=N1)C(C#N)S(=O)(=O)C2=CC=C(C=C2)C)Cl

Isomeric SMILES

CCOC(=O)CN1C(=O)C(=C(C=N1)C(C#N)S(=O)(=O)C2=CC=C(C=C2)C)Cl

InChI

InChI=1S/C17H16ClN3O5S/c1-3-26-15(22)10-21-17(23)16(18)13(9-20-21)14(8-19)27(24,25)12-6-4-11(2)5-7-12/h4-7,9,14H,3,10H2,1-2H3