2-[6-(2,5-dimethylphenyl)pyridazin-3-yl]sulfanyl-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[6-(2,5-dimethylphenyl)pyridazin-3-yl]sulfanyl-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[6-(2,5-dimethylphenyl)pyridazin-3-yl]sulfanyl-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[[6-(2,5-dimethylphenyl)-3-pyridazinyl]thio]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[6-(2,5-dimethylphenyl)pyridazin-3-yl]sulfanyl-1-pyrrolidin-1-ylethanone Traditional Name: 2-[[6-(2,5-dimethylphenyl)pyridazin-3-yl]thio]-1-pyrrolidino-ethanone Formula: C18H21N3OS MolecularWeight: 327.44384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C2=NN=C(C=C2)SCC(=O)N3CCCC3

Isomeric SMILES

CC1=CC(=C(C=C1)C)C2=NN=C(C=C2)SCC(=O)N3CCCC3

InChI

InChI=1S/C18H21N3OS/c1-13-5-6-14(2)15(11-13)16-7-8-17(20-19-16)23-12-18(22)21-9-3-4-10-21/h5-8,11H,3-4,9-10,12H2,1-2H3