5-methyl-4-[(4-methylsulfanylphenyl)methyl]-1,2-dihydropyrazol-3-one

Systemtic Name: 5-methyl-4-[(4-methylsulfanylphenyl)methyl]-1,2-dihydropyrazol-3-one Openeye Name: 5-methyl-4-[(4-methylsulfanylphenyl)methyl]-1,2-dihydropyrazol-3-one CAS Name: 5-methyl-4-[[4-(methylthio)phenyl]methyl]-1,2-dihydropyrazol-3-one IUPAC Name: 5-methyl-4-[(4-methylsulfanylphenyl)methyl]-1,2-dihydropyrazol-3-one Traditional Name: 5-methyl-4-[4-(methylthio)benzyl]-3-pyrazolin-3-one Formula: C12H14N2OS MolecularWeight: 234.31736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NN1)CC2=CC=C(C=C2)SC

Isomeric SMILES

CC1=C(C(=O)NN1)CC2=CC=C(C=C2)SC

InChI

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