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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[6-(4-ethoxyphenyl)pyridazin-3-yl]sulfanyl-ethanamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[6-(4-ethoxyphenyl)pyridazin-3-yl]sulfanyl-acetamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[6-(4-ethoxyphenyl)-3-pyridazinyl]thio]acetamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[6-(4-ethoxyphenyl)pyridazin-3-yl]sulfanylacetamide Traditional Name: N-homoveratryl-2-[(6-p-phenetylpyridazin-3-yl)thio]acetamide Formula: C24H27N3O4S MolecularWeight: 453.55388

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NN=C(C=C2)SCC(=O)NCCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NN=C(C=C2)SCC(=O)NCCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C24H27N3O4S/c1-4-31-19-8-6-18(7-9-19)20-10-12-24(27-26-20)32-16-23(28)25-14-13-17-5-11-21(29-2)22(15-17)30-3/h5-12,15H,4,13-14,16H2,1-3H3,(H,25,28)