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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)NC(=O)CSC2=NN=C(C=C2)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)NC(=O)CSC2=NN=C(C=C2)C3=CC(=C(C=C3)OC)OC

InChI

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