N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[6-(2-methoxyphenyl)pyridazin-3-yl]sulfanyl-ethanamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[6-(2-methoxyphenyl)pyridazin-3-yl]sulfanyl-ethanamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[6-(2-methoxyphenyl)pyridazin-3-yl]sulfanyl-acetamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[6-(2-methoxyphenyl)-3-pyridazinyl]thio]acetamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[6-(2-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[6-(2-methoxyphenyl)pyridazin-3-yl]thio]acetamide Formula: C21H19N3O4S MolecularWeight: 409.45826

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NN=C(C=C2)SCC(=O)NC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

COC1=CC=CC=C1C2=NN=C(C=C2)SCC(=O)NC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H19N3O4S/c1-26-17-5-3-2-4-15(17)16-7-9-21(24-23-16)29-13-20(25)22-14-6-8-18-19(12-14)28-11-10-27-18/h2-9,12H,10-11,13H2,1H3,(H,22,25)