5-methyl-2-(3-methylsulfanylphenyl)-4H-pyrazol-3-one

Systemtic Name: 5-methyl-2-(3-methylsulfanylphenyl)-4H-pyrazol-3-one Openeye Name: 5-methyl-2-(3-methylsulfanylphenyl)-4H-pyrazol-3-one CAS Name: 5-methyl-2-[3-(methylthio)phenyl]-4H-pyrazol-3-one IUPAC Name: 5-methyl-2-(3-methylsulfanylphenyl)-4H-pyrazol-3-one Traditional Name: 5-methyl-2-[3-(methylthio)phenyl]-2-pyrazolin-3-one Formula: C11H12N2OS MolecularWeight: 220.29078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1)C2=CC(=CC=C2)SC

Isomeric SMILES

CC1=NN(C(=O)C1)C2=CC(=CC=C2)SC

InChI

InChI=1S/C11H12N2OS/c1-8-6-11(14)13(12-8)9-4-3-5-10(7-9)15-2/h3-5,7H,6H2,1-2H3