1-(3,5-dimethylpyrazol-1-yl)-2-(phenylmethylsulfanyl)ethanone

Systemtic Name: 1-(3,5-dimethylpyrazol-1-yl)-2-(phenylmethylsulfanyl)ethanone Openeye Name: 2-benzylsulfanyl-1-(3,5-dimethylpyrazol-1-yl)ethanone CAS Name: 1-(3,5-dimethyl-1-pyrazolyl)-2-(phenylmethylthio)ethanone IUPAC Name: 2-benzylsulfanyl-1-(3,5-dimethylpyrazol-1-yl)ethanone Traditional Name: 2-(benzylthio)-1-(3,5-dimethylpyrazol-1-yl)ethanone Formula: C14H16N2OS MolecularWeight: 260.35464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C(=O)CSCC2=CC=CC=C2)C

Isomeric SMILES

CC1=CC(=NN1C(=O)CSCC2=CC=CC=C2)C

InChI

InChI=1S/C14H16N2OS/c1-11-8-12(2)16(15-11)14(17)10-18-9-13-6-4-3-5-7-13/h3-8H,9-10H2,1-2H3