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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[6-(3-methoxyphenyl)pyridazin-3-yl]sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[6-(3-methoxyphenyl)pyridazin-3-yl]sulfanyl-acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[[6-(3-methoxyphenyl)-3-pyridazinyl]thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[6-(3-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[[6-(3-methoxyphenyl)pyridazin-3-yl]thio]acetamide Formula: C20H17N3O4S MolecularWeight: 395.43168

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NN=C(C=C2)SCC(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=CC=CC(=C1)C2=NN=C(C=C2)SCC(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H17N3O4S/c1-25-15-4-2-3-13(9-15)16-6-8-20(23-22-16)28-11-19(24)21-14-5-7-17-18(10-14)27-12-26-17/h2-10H,11-12H2,1H3,(H,21,24)