(2R)-2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanyl-2-phenyl-1-piperidin-1-yl-ethanone

Systemtic Name: (2R)-2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanyl-2-phenyl-1-piperidin-1-yl-ethanone Openeye Name: (2R)-2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanyl-2-phenyl-1-(1-piperidyl)ethanone CAS Name: (2R)-2-[[6-(3,5-dimethyl-1-pyrazolyl)-3-pyridazinyl]thio]-2-phenyl-1-(1-piperidinyl)ethanone IUPAC Name: (2R)-2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanyl-2-phenyl-1-piperidin-1-ylethanone Traditional Name: (2R)-2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]thio]-2-phenyl-1-piperidino-ethanone Formula: C22H25N5OS MolecularWeight: 407.5318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=NN=C(C=C2)SC(C3=CC=CC=C3)C(=O)N4CCCCC4)C

Isomeric SMILES

CC1=CC(=NN1C2=NN=C(C=C2)S[C@H](C3=CC=CC=C3)C(=O)N4CCCCC4)C

InChI

InChI=1S/C22H25N5OS/c1-16-15-17(2)27(25-16)19-11-12-20(24-23-19)29-21(18-9-5-3-6-10-18)22(28)26-13-7-4-8-14-26/h3,5-6,9-12,15,21H,4,7-8,13-14H2,1-2H3/t21-/m1/s1