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

Systemtic Name: methyl 4-[2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanylethanoylamino]benzoate Openeye Name: methyl 4-[[2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[[6-(4-chlorophenyl)-3-pyridazinyl]thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[6-(4-chlorophenyl)pyridazin-3-yl]thio]acetyl]amino]benzoic acid methyl ester Formula: C20H16ClN3O3S MolecularWeight: 413.87734

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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=C(C=C3)Cl

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(C=C2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H16ClN3O3S/c1-27-20(26)14-4-8-16(9-5-14)22-18(25)12-28-19-11-10-17(23-24-19)13-2-6-15(21)7-3-13/h2-11H,12H2,1H3,(H,22,25)