ethyl 2-[2-[6-(4-ethylphenyl)pyridazin-3-yl]sulfanylethanoylamino]benzoate

Systemtic Name: ethyl 2-[2-[6-(4-ethylphenyl)pyridazin-3-yl]sulfanylethanoylamino]benzoate Openeye Name: ethyl 2-[[2-[6-(4-ethylphenyl)pyridazin-3-yl]sulfanylacetyl]amino]benzoate CAS Name: 2-[[2-[[6-(4-ethylphenyl)-3-pyridazinyl]thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[[2-[6-(4-ethylphenyl)pyridazin-3-yl]sulfanylacetyl]amino]benzoate Traditional Name: 2-[[2-[[6-(4-ethylphenyl)pyridazin-3-yl]thio]acetyl]amino]benzoic acid ethyl ester Formula: C23H23N3O3S MolecularWeight: 421.51202

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NN=C(C=C2)SCC(=O)NC3=CC=CC=C3C(=O)OCC

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NN=C(C=C2)SCC(=O)NC3=CC=CC=C3C(=O)OCC

InChI

InChI=1S/C23H23N3O3S/c1-3-16-9-11-17(12-10-16)19-13-14-22(26-25-19)30-15-21(27)24-20-8-6-5-7-18(20)23(28)29-4-2/h5-14H,3-4,15H2,1-2H3,(H,24,27)