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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[6-(3-nitrophenyl)pyridazin-3-yl]sulfanyl-ethanamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[6-(3-nitrophenyl)pyridazin-3-yl]sulfanyl-acetamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[6-(3-nitrophenyl)-3-pyridazinyl]thio]acetamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[6-(3-nitrophenyl)pyridazin-3-yl]sulfanylacetamide Traditional Name: N-homoveratryl-2-[[6-(3-nitrophenyl)pyridazin-3-yl]thio]acetamide Formula: C22H22N4O5S MolecularWeight: 454.49888

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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=C3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)CSC2=NN=C(C=C2)C3=CC(=CC=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C22H22N4O5S/c1-30-19-8-6-15(12-20(19)31-2)10-11-23-21(27)14-32-22-9-7-18(24-25-22)16-4-3-5-17(13-16)26(28)29/h3-9,12-13H,10-11,14H2,1-2H3,(H,23,27)