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

Systemtic Name: 1-(azepan-1-yl)-2-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]sulfanyl-ethanone Openeye Name: 1-(azepan-1-yl)-2-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]sulfanyl-ethanone CAS Name: 1-(1-azepanyl)-2-[[6-(1,3-benzodioxol-5-yl)-3-pyridazinyl]thio]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]sulfanylethanone Traditional Name: 1-(azepan-1-yl)-2-[[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]thio]ethanone Formula: C19H21N3O3S MolecularWeight: 371.45334

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CSC2=NN=C(C=C2)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCCN(CC1)C(=O)CSC2=NN=C(C=C2)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H21N3O3S/c23-19(22-9-3-1-2-4-10-22)12-26-18-8-6-15(20-21-18)14-5-7-16-17(11-14)25-13-24-16/h5-8,11H,1-4,9-10,12-13H2