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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanyl-ethanamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[6-(3-pyridyl)pyridazin-3-yl]sulfanyl-acetamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[6-(3-pyridinyl)-3-pyridazinyl]thio]acetamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide Traditional Name: N-homoveratryl-2-[[6-(3-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=CN=CC=C3)OC

Isomeric SMILES

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

InChI

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