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

Systemtic Name: methyl 4-[2-[6-(3-nitrophenyl)pyridazin-3-yl]sulfanylethanoylamino]benzoate Openeye Name: methyl 4-[[2-[6-(3-nitrophenyl)pyridazin-3-yl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[[6-(3-nitrophenyl)-3-pyridazinyl]thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[6-(3-nitrophenyl)pyridazin-3-yl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[6-(3-nitrophenyl)pyridazin-3-yl]thio]acetyl]amino]benzoic acid methyl ester Formula: C20H16N4O5S MolecularWeight: 424.42984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16N4O5S/c1-29-20(26)13-5-7-15(8-6-13)21-18(25)12-30-19-10-9-17(22-23-19)14-3-2-4-16(11-14)24(27)28/h2-11H,12H2,1H3,(H,21,25)