3-[(4-methylphenyl)sulfanylmethyl]-1,4-dihydropyrazol-5-one

Systemtic Name: 3-[(4-methylphenyl)sulfanylmethyl]-1,4-dihydropyrazol-5-one Openeye Name: 3-(p-tolylsulfanylmethyl)-1,4-dihydropyrazol-5-one CAS Name: 3-[[(4-methylphenyl)thio]methyl]-1,4-dihydropyrazol-5-one IUPAC Name: 3-[(4-methylphenyl)sulfanylmethyl]-1,4-dihydropyrazol-5-one Traditional Name: 5-[(p-tolylthio)methyl]-2-pyrazolin-3-one Formula: C11H12N2OS MolecularWeight: 220.29078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC2=NNC(=O)C2

Isomeric SMILES

CC1=CC=C(C=C1)SCC2=NNC(=O)C2

InChI

InChI=1S/C11H12N2OS/c1-8-2-4-10(5-3-8)15-7-9-6-11(14)13-12-9/h2-5H,6-7H2,1H3,(H,13,14)