N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanyl-ethanamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanyl-ethanamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[6-(2-pyridyl)pyridazin-3-yl]sulfanyl-acetamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[6-(2-pyridinyl)-3-pyridazinyl]thio]acetamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide Traditional Name: N-homoveratryl-2-[[6-(2-pyridyl)pyridazin-3-yl]thio]acetamide Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)CSC2=NN=C(C=C2)C3=CC=CC=N3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)CSC2=NN=C(C=C2)C3=CC=CC=N3)OC

InChI

InChI=1S/C21H22N4O3S/c1-27-18-8-6-15(13-19(18)28-2)10-12-23-20(26)14-29-21-9-7-17(24-25-21)16-5-3-4-11-22-16/h3-9,11,13H,10,12,14H2,1-2H3,(H,23,26)