methyl 4-[2-[6-(2,4,5-trimethylphenyl)pyridazin-3-yl]sulfanylethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[6-(2,4,5-trimethylphenyl)pyridazin-3-yl]sulfanylethanoylamino]benzoate Openeye Name: methyl 4-[[2-[6-(2,4,5-trimethylphenyl)pyridazin-3-yl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[[6-(2,4,5-trimethylphenyl)-3-pyridazinyl]thio]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[6-(2,4,5-trimethylphenyl)pyridazin-3-yl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[6-(2,4,5-trimethylphenyl)pyridazin-3-yl]thio]acetyl]amino]benzoic acid methyl ester Formula: C23H23N3O3S MolecularWeight: 421.51202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C2=NN=C(C=C2)SCC(=O)NC3=CC=C(C=C3)C(=O)OC)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C2=NN=C(C=C2)SCC(=O)NC3=CC=C(C=C3)C(=O)OC)C)C

InChI

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