1-[(2S)-2-ethylpiperidin-1-yl]-2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanyl-ethanone

Systemtic Name: 1-[(2S)-2-ethylpiperidin-1-yl]-2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanyl-ethanone Openeye Name: 1-[(2S)-2-ethyl-1-piperidyl]-2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanyl-ethanone CAS Name: 1-[(2S)-2-ethyl-1-piperidinyl]-2-[[6-(4-methoxyphenyl)-3-pyridazinyl]thio]ethanone IUPAC Name: 1-[(2S)-2-ethylpiperidin-1-yl]-2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylethanone Traditional Name: 1-[(2S)-2-ethylpiperidino]-2-[[6-(4-methoxyphenyl)pyridazin-3-yl]thio]ethanone Formula: C20H25N3O2S MolecularWeight: 371.4964

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C(=O)CSC2=NN=C(C=C2)C3=CC=C(C=C3)OC

Isomeric SMILES

CC[C@H]1CCCCN1C(=O)CSC2=NN=C(C=C2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C20H25N3O2S/c1-3-16-6-4-5-13-23(16)20(24)14-26-19-12-11-18(21-22-19)15-7-9-17(25-2)10-8-15/h7-12,16H,3-6,13-14H2,1-2H3/t16-/m0/s1