1-[(3R)-3-(4-chlorophenyl)-5-methyl-3-oxidanyl-1H-pyrazol-2-yl]-2-(phenylmethylsulfanyl)ethanone

Systemtic Name: 1-[(3R)-3-(4-chlorophenyl)-5-methyl-3-oxidanyl-1H-pyrazol-2-yl]-2-(phenylmethylsulfanyl)ethanone Openeye Name: 2-benzylsulfanyl-1-[(3R)-3-(4-chlorophenyl)-3-hydroxy-5-methyl-1H-pyrazol-2-yl]ethanone CAS Name: 1-[(3R)-3-(4-chlorophenyl)-3-hydroxy-5-methyl-1H-pyrazol-2-yl]-2-(phenylmethylthio)ethanone IUPAC Name: 2-benzylsulfanyl-1-[(3R)-3-(4-chlorophenyl)-3-hydroxy-5-methyl-1H-pyrazol-2-yl]ethanone Traditional Name: 2-(benzylthio)-1-[(5R)-5-(4-chlorophenyl)-5-hydroxy-3-methyl-3-pyrazolin-1-yl]ethanone Formula: C19H19ClN2O2S MolecularWeight: 374.88436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(N(N1)C(=O)CSCC2=CC=CC=C2)(C3=CC=C(C=C3)Cl)O

Isomeric SMILES

CC1=C[C@](N(N1)C(=O)CSCC2=CC=CC=C2)(C3=CC=C(C=C3)Cl)O

InChI

InChI=1S/C19H19ClN2O2S/c1-14-11-19(24,16-7-9-17(20)10-8-16)22(21-14)18(23)13-25-12-15-5-3-2-4-6-15/h2-11,21,24H,12-13H2,1H3/t19-/m1/s1