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

Systemtic Name: methyl 4-[2-(6-naphthalen-2-ylpyridazin-3-yl)sulfanylethanoylamino]benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C24H19N3O3S MolecularWeight: 429.49096

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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=CC4=CC=CC=C4C=C3

Isomeric SMILES

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

InChI

InChI=1S/C24H19N3O3S/c1-30-24(29)17-8-10-20(11-9-17)25-22(28)15-31-23-13-12-21(26-27-23)19-7-6-16-4-2-3-5-18(16)14-19/h2-14H,15H2,1H3,(H,25,28)