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

Systemtic Name: methyl 4-[2-(6-phenylpyridazin-3-yl)sulfanylethanoylamino]benzoate Openeye Name: methyl 4-[[2-(6-phenylpyridazin-3-yl)sulfanylacetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[(6-phenyl-3-pyridazinyl)thio]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(6-phenylpyridazin-3-yl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(6-phenylpyridazin-3-yl)thio]acetyl]amino]benzoic acid methyl ester Formula: C20H17N3O3S MolecularWeight: 379.43228

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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=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C20H17N3O3S/c1-26-20(25)15-7-9-16(10-8-15)21-18(24)13-27-19-12-11-17(22-23-19)14-5-3-2-4-6-14/h2-12H,13H2,1H3,(H,21,24)