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

Systemtic Name: methyl 4-[2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylethanoylamino]benzoate Openeye Name: methyl 4-[[2-[6-(3-pyridyl)pyridazin-3-yl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[[6-(3-pyridinyl)-3-pyridazinyl]thio]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[6-(3-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=CN=CC=C3

Isomeric SMILES

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

InChI

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