N-[(4-chlorophenyl)methyl]-2-[6-(2,5-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-ethanamide

Systemtic Name: N-[(4-chlorophenyl)methyl]-2-[6-(2,5-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-ethanamide Openeye Name: N-[(4-chlorophenyl)methyl]-2-[6-(2,5-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-acetamide CAS Name: N-[(4-chlorophenyl)methyl]-2-[[6-(2,5-dimethoxyphenyl)-3-pyridazinyl]thio]acetamide IUPAC Name: N-[(4-chlorophenyl)methyl]-2-[6-(2,5-dimethoxyphenyl)pyridazin-3-yl]sulfanylacetamide Traditional Name: N-(4-chlorobenzyl)-2-[[6-(2,5-dimethoxyphenyl)pyridazin-3-yl]thio]acetamide Formula: C21H20ClN3O3S MolecularWeight: 429.9198

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C2=NN=C(C=C2)SCC(=O)NCC3=CC=C(C=C3)Cl

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C2=NN=C(C=C2)SCC(=O)NCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H20ClN3O3S/c1-27-16-7-9-19(28-2)17(11-16)18-8-10-21(25-24-18)29-13-20(26)23-12-14-3-5-15(22)6-4-14/h3-11H,12-13H2,1-2H3,(H,23,26)