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

Systemtic Name: 1-(3,5-dimethylpyrazol-1-yl)-2-phenylsulfanyl-ethanone Openeye Name: 1-(3,5-dimethylpyrazol-1-yl)-2-phenylsulfanyl-ethanone CAS Name: 1-(3,5-dimethyl-1-pyrazolyl)-2-(phenylthio)ethanone IUPAC Name: 1-(3,5-dimethylpyrazol-1-yl)-2-phenylsulfanylethanone Traditional Name: 1-(3,5-dimethylpyrazol-1-yl)-2-(phenylthio)ethanone Formula: C13H14N2OS MolecularWeight: 246.32806

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C(=O)CSC2=CC=CC=C2)C

Isomeric SMILES

CC1=CC(=NN1C(=O)CSC2=CC=CC=C2)C

InChI

InChI=1S/C13H14N2OS/c1-10-8-11(2)15(14-10)13(16)9-17-12-6-4-3-5-7-12/h3-8H,9H2,1-2H3