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

Systemtic Name: ethyl 2-[2-[6-(4-bromophenyl)pyridazin-3-yl]sulfanylethanoylamino]benzoate Openeye Name: ethyl 2-[[2-[6-(4-bromophenyl)pyridazin-3-yl]sulfanylacetyl]amino]benzoate CAS Name: 2-[[2-[[6-(4-bromophenyl)-3-pyridazinyl]thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[[2-[6-(4-bromophenyl)pyridazin-3-yl]sulfanylacetyl]amino]benzoate Traditional Name: 2-[[2-[[6-(4-bromophenyl)pyridazin-3-yl]thio]acetyl]amino]benzoic acid ethyl ester Formula: C21H18BrN3O3S MolecularWeight: 472.35492

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1NC(=O)CSC2=NN=C(C=C2)C3=CC=C(C=C3)Br

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1NC(=O)CSC2=NN=C(C=C2)C3=CC=C(C=C3)Br

InChI

InChI=1S/C21H18BrN3O3S/c1-2-28-21(27)16-5-3-4-6-18(16)23-19(26)13-29-20-12-11-17(24-25-20)14-7-9-15(22)10-8-14/h3-12H,2,13H2,1H3,(H,23,26)