2-[2-(3-methylphenyl)sulfanylethyl]-1H-pyrazol-3-one

Systemtic Name: 2-[2-(3-methylphenyl)sulfanylethyl]-1H-pyrazol-3-one Openeye Name: 2-[2-(m-tolylsulfanyl)ethyl]-1H-pyrazol-3-one CAS Name: 2-[2-[(3-methylphenyl)thio]ethyl]-1H-pyrazol-3-one IUPAC Name: 2-[2-(3-methylphenyl)sulfanylethyl]-1H-pyrazol-3-one Traditional Name: 2-[2-(m-tolylthio)ethyl]-3-pyrazolin-3-one Formula: C12H14N2OS MolecularWeight: 234.31736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)SCCN2C(=O)C=CN2

Isomeric SMILES

CC1=CC(=CC=C1)SCCN2C(=O)C=CN2

InChI

InChI=1S/C12H14N2OS/c1-10-3-2-4-11(9-10)16-8-7-14-12(15)5-6-13-14/h2-6,9,13H,7-8H2,1H3