2-methyl-5-[(4-methylphenyl)sulfanylmethyl]-1H-pyrazol-3-one

Systemtic Name: 2-methyl-5-[(4-methylphenyl)sulfanylmethyl]-1H-pyrazol-3-one Openeye Name: 2-methyl-5-(p-tolylsulfanylmethyl)-1H-pyrazol-3-one CAS Name: 2-methyl-5-[[(4-methylphenyl)thio]methyl]-1H-pyrazol-3-one IUPAC Name: 2-methyl-5-[(4-methylphenyl)sulfanylmethyl]-1H-pyrazol-3-one Traditional Name: 2-methyl-5-[(p-tolylthio)methyl]-3-pyrazolin-3-one Formula: C12H14N2OS MolecularWeight: 234.31736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC2=CC(=O)N(N2)C

Isomeric SMILES

CC1=CC=C(C=C1)SCC2=CC(=O)N(N2)C

InChI

InChI=1S/C12H14N2OS/c1-9-3-5-11(6-4-9)16-8-10-7-12(15)14(2)13-10/h3-7,13H,8H2,1-2H3