1-(5-methyl-3-methylsulfanyl-1-phenyl-pyrazol-4-yl)ethanone

Systemtic Name: 1-(5-methyl-3-methylsulfanyl-1-phenyl-pyrazol-4-yl)ethanone Openeye Name: 1-(5-methyl-3-methylsulfanyl-1-phenyl-pyrazol-4-yl)ethanone CAS Name: 1-[5-methyl-3-(methylthio)-1-phenyl-4-pyrazolyl]ethanone IUPAC Name: 1-(5-methyl-3-methylsulfanyl-1-phenylpyrazol-4-yl)ethanone Traditional Name: 1-[5-methyl-3-(methylthio)-1-phenyl-pyrazol-4-yl]ethanone Formula: C13H14N2OS MolecularWeight: 246.32806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)SC)C(=O)C

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)SC)C(=O)C

InChI

InChI=1S/C13H14N2OS/c1-9-12(10(2)16)13(17-3)14-15(9)11-7-5-4-6-8-11/h4-8H,1-3H3