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

Systemtic Name: 2-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]sulfanyl-1-(4-methylpiperidin-1-yl)ethanone Openeye Name: 2-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]sulfanyl-1-(4-methyl-1-piperidyl)ethanone CAS Name: 2-[[6-(1,3-benzodioxol-5-yl)-3-pyridazinyl]thio]-1-(4-methyl-1-piperidinyl)ethanone IUPAC Name: 2-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]sulfanyl-1-(4-methylpiperidin-1-yl)ethanone Traditional Name: 2-[[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]thio]-1-(4-methylpiperidino)ethanone Formula: C19H21N3O3S MolecularWeight: 371.45334

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)CSC2=NN=C(C=C2)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1CCN(CC1)C(=O)CSC2=NN=C(C=C2)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H21N3O3S/c1-13-6-8-22(9-7-13)19(23)11-26-18-5-3-15(20-21-18)14-2-4-16-17(10-14)25-12-24-16/h2-5,10,13H,6-9,11-12H2,1H3