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

Systemtic Name: 2-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]sulfanyl-1-(4-methoxyphenyl)ethanone Openeye Name: 2-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]sulfanyl-1-(4-methoxyphenyl)ethanone CAS Name: 2-[[6-(1,3-benzodioxol-5-yl)-3-pyridazinyl]thio]-1-(4-methoxyphenyl)ethanone IUPAC Name: 2-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]sulfanyl-1-(4-methoxyphenyl)ethanone Traditional Name: 2-[[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]thio]-1-(4-methoxyphenyl)ethanone Formula: C20H16N2O4S MolecularWeight: 380.41704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16N2O4S/c1-24-15-5-2-13(3-6-15)17(23)11-27-20-9-7-16(21-22-20)14-4-8-18-19(10-14)26-12-25-18/h2-10H,11-12H2,1H3