2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[[6-(3,4-dimethoxyphenyl)-3-pyridazinyl]thio]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-1-pyrrolidin-1-ylethanone Traditional Name: 2-[[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]thio]-1-pyrrolidino-ethanone Formula: C18H21N3O3S MolecularWeight: 359.44264

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN=C(C=C2)SCC(=O)N3CCCC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN=C(C=C2)SCC(=O)N3CCCC3)OC

InChI

InChI=1S/C18H21N3O3S/c1-23-15-7-5-13(11-16(15)24-2)14-6-8-17(20-19-14)25-12-18(22)21-9-3-4-10-21/h5-8,11H,3-4,9-10,12H2,1-2H3