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

Systemtic Name: methyl 4-[2-[6-(2,4-dimethylphenyl)pyridazin-3-yl]sulfanylethanoylamino]benzoate Openeye Name: methyl 4-[[2-[6-(2,4-dimethylphenyl)pyridazin-3-yl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[[6-(2,4-dimethylphenyl)-3-pyridazinyl]thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[6-(2,4-dimethylphenyl)pyridazin-3-yl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[6-(2,4-dimethylphenyl)pyridazin-3-yl]thio]acetyl]amino]benzoic acid methyl ester Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=NN=C(C=C2)SCC(=O)NC3=CC=C(C=C3)C(=O)OC)C

Isomeric SMILES

CC1=CC(=C(C=C1)C2=NN=C(C=C2)SCC(=O)NC3=CC=C(C=C3)C(=O)OC)C

InChI

InChI=1S/C22H21N3O3S/c1-14-4-9-18(15(2)12-14)19-10-11-21(25-24-19)29-13-20(26)23-17-7-5-16(6-8-17)22(27)28-3/h4-12H,13H2,1-3H3,(H,23,26)