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

Systemtic Name: ethyl 2-[2-(6-phenylpyridazin-3-yl)sulfanylethanoylamino]benzoate Openeye Name: ethyl 2-[[2-(6-phenylpyridazin-3-yl)sulfanylacetyl]amino]benzoate CAS Name: 2-[[1-oxo-2-[(6-phenyl-3-pyridazinyl)thio]ethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[[2-(6-phenylpyridazin-3-yl)sulfanylacetyl]amino]benzoate Traditional Name: 2-[[2-[(6-phenylpyridazin-3-yl)thio]acetyl]amino]benzoic acid ethyl ester Formula: C21H19N3O3S MolecularWeight: 393.45886

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1NC(=O)CSC2=NN=C(C=C2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1NC(=O)CSC2=NN=C(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H19N3O3S/c1-2-27-21(26)16-10-6-7-11-18(16)22-19(25)14-28-20-13-12-17(23-24-20)15-8-4-3-5-9-15/h3-13H,2,14H2,1H3,(H,22,25)