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

Systemtic Name: ethyl 4-[2-[6-(4-bromophenyl)pyridazin-3-yl]sulfanylethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[6-(4-bromophenyl)pyridazin-3-yl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[[6-(4-bromophenyl)-3-pyridazinyl]thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[6-(4-bromophenyl)pyridazin-3-yl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[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=C(C=C1)NC(=O)CSC2=NN=C(C=C2)C3=CC=C(C=C3)Br

Isomeric SMILES

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

InChI

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