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

Systemtic Name: methyl 4-[2-(6-pyridin-4-ylpyridazin-3-yl)sulfanylethanoylamino]benzoate Openeye Name: methyl 4-[[2-[6-(4-pyridyl)pyridazin-3-yl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[(6-pyridin-4-yl-3-pyridazinyl)thio]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(6-pyridin-4-ylpyridazin-3-yl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[6-(4-pyridyl)pyridazin-3-yl]thio]acetyl]amino]benzoic acid methyl ester Formula: C19H16N4O3S MolecularWeight: 380.42034

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16N4O3S/c1-26-19(25)14-2-4-15(5-3-14)21-17(24)12-27-18-7-6-16(22-23-18)13-8-10-20-11-9-13/h2-11H,12H2,1H3,(H,21,24)