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

Systemtic Name: ethyl 4-[2-(6-naphthalen-2-ylpyridazin-3-yl)sulfanylethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[6-(2-naphthyl)pyridazin-3-yl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[[6-(2-naphthalenyl)-3-pyridazinyl]thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(6-naphthalen-2-ylpyridazin-3-yl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[6-(2-naphthyl)pyridazin-3-yl]thio]acetyl]amino]benzoic acid ethyl ester Formula: C25H21N3O3S MolecularWeight: 443.51754

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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=CC4=CC=CC=C4C=C3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(C=C2)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C25H21N3O3S/c1-2-31-25(30)18-9-11-21(12-10-18)26-23(29)16-32-24-14-13-22(27-28-24)20-8-7-17-5-3-4-6-19(17)15-20/h3-15H,2,16H2,1H3,(H,26,29)