ethyl 4-[2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[6-(2-pyridyl)pyridazin-3-yl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[[6-(2-pyridinyl)-3-pyridazinyl]thio]ethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[6-(2-pyridyl)pyridazin-3-yl]thio]acetyl]amino]benzoic acid ethyl ester Formula: C20H18N4O3S MolecularWeight: 394.44692

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(C=C2)C3=CC=CC=N3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(C=C2)C3=CC=CC=N3

InChI

InChI=1S/C20H18N4O3S/c1-2-27-20(26)14-6-8-15(9-7-14)22-18(25)13-28-19-11-10-17(23-24-19)16-5-3-4-12-21-16/h3-12H,2,13H2,1H3,(H,22,25)