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

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

CCC1=CC=C(C=C1)C2=NN=C(C=C2)SCC(=O)NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NN=C(C=C2)SCC(=O)NC3=CC=C(C=C3)C(=O)OC

InChI

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