N-(5-chloranyl-2-methoxy-phenyl)-2-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-ethanamide

Systemtic Name: N-(5-chloranyl-2-methoxy-phenyl)-2-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-ethanamide Openeye Name: N-(5-chloro-2-methoxy-phenyl)-2-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-acetamide CAS Name: N-(5-chloro-2-methoxyphenyl)-2-[[6-(2,4-dimethoxyphenyl)-3-pyridazinyl]thio]acetamide IUPAC Name: N-(5-chloro-2-methoxyphenyl)-2-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]sulfanylacetamide Traditional Name: N-(5-chloro-2-methoxy-phenyl)-2-[[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]thio]acetamide Formula: C21H20ClN3O4S MolecularWeight: 445.9192

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2=NN=C(C=C2)SCC(=O)NC3=C(C=CC(=C3)Cl)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C2=NN=C(C=C2)SCC(=O)NC3=C(C=CC(=C3)Cl)OC)OC

InChI

InChI=1S/C21H20ClN3O4S/c1-27-14-5-6-15(19(11-14)29-3)16-7-9-21(25-24-16)30-12-20(26)23-17-10-13(22)4-8-18(17)28-2/h4-11H,12H2,1-3H3,(H,23,26)