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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NN=C(C=C2)SCC(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=CC=CC(=C1)C2=NN=C(C=C2)SCC(=O)NCC3=CC4=C(C=C3)OCO4

InChI

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