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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[6-(4-ethoxyphenyl)pyridazin-3-yl]sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[6-(4-ethoxyphenyl)pyridazin-3-yl]sulfanyl-acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[[6-(4-ethoxyphenyl)-3-pyridazinyl]thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[6-(4-ethoxyphenyl)pyridazin-3-yl]sulfanylacetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[(6-p-phenetylpyridazin-3-yl)thio]acetamide Formula: C21H19N3O4S MolecularWeight: 409.45826

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NN=C(C=C2)SCC(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NN=C(C=C2)SCC(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H19N3O4S/c1-2-26-16-6-3-14(4-7-16)17-8-10-21(24-23-17)29-12-20(25)22-15-5-9-18-19(11-15)28-13-27-18/h3-11H,2,12-13H2,1H3,(H,22,25)