1-(3-methyl-5-oxidanyl-5-phenyl-4H-pyrazol-1-yl)-2-(phenylmethylsulfanyl)ethanone

Systemtic Name: 1-(3-methyl-5-oxidanyl-5-phenyl-4H-pyrazol-1-yl)-2-(phenylmethylsulfanyl)ethanone Openeye Name: 2-benzylsulfanyl-1-(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)ethanone CAS Name: 1-(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)-2-(phenylmethylthio)ethanone IUPAC Name: 2-benzylsulfanyl-1-(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)ethanone Traditional Name: 2-(benzylthio)-1-(5-hydroxy-3-methyl-5-phenyl-2-pyrazolin-1-yl)ethanone Formula: C19H20N2O2S MolecularWeight: 340.4393

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(C1)(C2=CC=CC=C2)O)C(=O)CSCC3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(C1)(C2=CC=CC=C2)O)C(=O)CSCC3=CC=CC=C3

InChI

InChI=1S/C19H20N2O2S/c1-15-12-19(23,17-10-6-3-7-11-17)21(20-15)18(22)14-24-13-16-8-4-2-5-9-16/h2-11,23H,12-14H2,1H3