2-methyl-1-(4-methylphenyl)sulfonyl-5-methylsulfanyl-pyrazol-3-one

Systemtic Name: 2-methyl-1-(4-methylphenyl)sulfonyl-5-methylsulfanyl-pyrazol-3-one Openeye Name: 2-methyl-5-methylsulfanyl-1-(p-tolylsulfonyl)pyrazol-3-one CAS Name: 2-methyl-1-(4-methylphenyl)sulfonyl-5-(methylthio)-3-pyrazolone IUPAC Name: 2-methyl-1-(4-methylphenyl)sulfonyl-5-methylsulfanylpyrazol-3-one Traditional Name: 2-methyl-5-(methylthio)-1-tosyl-3-pyrazolin-3-one Formula: C12H14N2O3S2 MolecularWeight: 298.38116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C(=CC(=O)N2C)SC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C(=CC(=O)N2C)SC

InChI

InChI=1S/C12H14N2O3S2/c1-9-4-6-10(7-5-9)19(16,17)14-12(18-3)8-11(15)13(14)2/h4-8H,1-3H3