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

Systemtic Name: 2-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]sulfanyl-1-piperidin-1-yl-ethanone Openeye Name: 2-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]sulfanyl-1-(1-piperidyl)ethanone CAS Name: 2-[[6-(1,3-benzodioxol-5-yl)-3-pyridazinyl]thio]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]sulfanyl-1-piperidin-1-ylethanone Traditional Name: 2-[[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]thio]-1-piperidino-ethanone Formula: C18H19N3O3S MolecularWeight: 357.42676

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)CSC2=NN=C(C=C2)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCN(CC1)C(=O)CSC2=NN=C(C=C2)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H19N3O3S/c22-18(21-8-2-1-3-9-21)11-25-17-7-5-14(19-20-17)13-4-6-15-16(10-13)24-12-23-15/h4-7,10H,1-3,8-9,11-12H2