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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(C=C2)C3=CC=CC=C3C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(C=C2)C3=CC=CC=C3C

InChI

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