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

Systemtic Name: ethyl 2-[2-[6-(3-nitrophenyl)pyridazin-3-yl]sulfanylethanoylamino]benzoate Openeye Name: ethyl 2-[[2-[6-(3-nitrophenyl)pyridazin-3-yl]sulfanylacetyl]amino]benzoate CAS Name: 2-[[2-[[6-(3-nitrophenyl)-3-pyridazinyl]thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[[2-[6-(3-nitrophenyl)pyridazin-3-yl]sulfanylacetyl]amino]benzoate Traditional Name: 2-[[2-[[6-(3-nitrophenyl)pyridazin-3-yl]thio]acetyl]amino]benzoic acid ethyl ester Formula: C21H18N4O5S MolecularWeight: 438.45642

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1NC(=O)CSC2=NN=C(C=C2)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1NC(=O)CSC2=NN=C(C=C2)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H18N4O5S/c1-2-30-21(27)16-8-3-4-9-18(16)22-19(26)13-31-20-11-10-17(23-24-20)14-6-5-7-15(12-14)25(28)29/h3-12H,2,13H2,1H3,(H,22,26)