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

Systemtic Name: N-[2-(4-methoxyphenyl)ethyl]-2-[6-(3-nitrophenyl)pyridazin-3-yl]sulfanyl-ethanamide Openeye Name: N-[2-(4-methoxyphenyl)ethyl]-2-[6-(3-nitrophenyl)pyridazin-3-yl]sulfanyl-acetamide CAS Name: N-[2-(4-methoxyphenyl)ethyl]-2-[[6-(3-nitrophenyl)-3-pyridazinyl]thio]acetamide IUPAC Name: N-[2-(4-methoxyphenyl)ethyl]-2-[6-(3-nitrophenyl)pyridazin-3-yl]sulfanylacetamide Traditional Name: N-[2-(4-methoxyphenyl)ethyl]-2-[[6-(3-nitrophenyl)pyridazin-3-yl]thio]acetamide Formula: C21H20N4O4S MolecularWeight: 424.4729

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N4O4S/c1-29-18-7-5-15(6-8-18)11-12-22-20(26)14-30-21-10-9-19(23-24-21)16-3-2-4-17(13-16)25(27)28/h2-10,13H,11-12,14H2,1H3,(H,22,26)