2-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]sulfanyl-N-[2-(4-methoxyphenyl)ethyl]ethanamide

Systemtic Name: 2-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]sulfanyl-N-[2-(4-methoxyphenyl)ethyl]ethanamide Openeye Name: 2-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]sulfanyl-N-[2-(4-methoxyphenyl)ethyl]acetamide CAS Name: 2-[[6-(1,3-benzodioxol-5-yl)-3-pyridazinyl]thio]-N-[2-(4-methoxyphenyl)ethyl]acetamide IUPAC Name: 2-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]sulfanyl-N-[2-(4-methoxyphenyl)ethyl]acetamide Traditional Name: 2-[[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]thio]-N-[2-(4-methoxyphenyl)ethyl]acetamide Formula: C22H21N3O4S MolecularWeight: 423.48484

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCNC(=O)CSC2=NN=C(C=C2)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=CC=C(C=C1)CCNC(=O)CSC2=NN=C(C=C2)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H21N3O4S/c1-27-17-5-2-15(3-6-17)10-11-23-21(26)13-30-22-9-7-18(24-25-22)16-4-8-19-20(12-16)29-14-28-19/h2-9,12H,10-11,13-14H2,1H3,(H,23,26)