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

Systemtic Name: (2R)-2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanyl-2-phenyl-1-pyrrolidin-1-yl-ethanone Openeye Name: (2R)-2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanyl-2-phenyl-1-pyrrolidin-1-yl-ethanone CAS Name: (2R)-2-[[6-(3,5-dimethyl-1-pyrazolyl)-3-pyridazinyl]thio]-2-phenyl-1-(1-pyrrolidinyl)ethanone IUPAC Name: (2R)-2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanyl-2-phenyl-1-pyrrolidin-1-ylethanone Traditional Name: (2R)-2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]thio]-2-phenyl-1-pyrrolidino-ethanone Formula: C21H23N5OS MolecularWeight: 393.50522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=NN=C(C=C2)SC(C3=CC=CC=C3)C(=O)N4CCCC4)C

Isomeric SMILES

CC1=CC(=NN1C2=NN=C(C=C2)S[C@H](C3=CC=CC=C3)C(=O)N4CCCC4)C

InChI

InChI=1S/C21H23N5OS/c1-15-14-16(2)26(24-15)18-10-11-19(23-22-18)28-20(17-8-4-3-5-9-17)21(27)25-12-6-7-13-25/h3-5,8-11,14,20H,6-7,12-13H2,1-2H3/t20-/m1/s1