5-methyl-2-(4-methyl-2-sulfanyl-phenyl)-4H-pyrazol-3-one

Systemtic Name: 5-methyl-2-(4-methyl-2-sulfanyl-phenyl)-4H-pyrazol-3-one Openeye Name: 5-methyl-2-(4-methyl-2-sulfanyl-phenyl)-4H-pyrazol-3-one CAS Name: 2-(2-mercapto-4-methylphenyl)-5-methyl-4H-pyrazol-3-one IUPAC Name: 5-methyl-2-(4-methyl-2-sulfanylphenyl)-4H-pyrazol-3-one Traditional Name: 2-(2-mercapto-4-methyl-phenyl)-5-methyl-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=C(C=C(C=C2)C)S

Isomeric SMILES

CC1=NN(C(=O)C1)C2=C(C=C(C=C2)C)S

InChI

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