5-[(1-methylimidazol-2-yl)sulfanylmethyl]-2-(4-methylphenyl)-1H-pyrazol-3-one

Systemtic Name: 5-[(1-methylimidazol-2-yl)sulfanylmethyl]-2-(4-methylphenyl)-1H-pyrazol-3-one Openeye Name: 5-[(1-methylimidazol-2-yl)sulfanylmethyl]-2-(p-tolyl)-1H-pyrazol-3-one CAS Name: 5-[[(1-methyl-2-imidazolyl)thio]methyl]-2-(4-methylphenyl)-1H-pyrazol-3-one IUPAC Name: 5-[(1-methylimidazol-2-yl)sulfanylmethyl]-2-(4-methylphenyl)-1H-pyrazol-3-one Traditional Name: 5-[[(1-methylimidazol-2-yl)thio]methyl]-2-(p-tolyl)-3-pyrazolin-3-one Formula: C15H16N4OS MolecularWeight: 300.37874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C=C(N2)CSC3=NC=CN3C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C=C(N2)CSC3=NC=CN3C

InChI

InChI=1S/C15H16N4OS/c1-11-3-5-13(6-4-11)19-14(20)9-12(17-19)10-21-15-16-7-8-18(15)2/h3-9,17H,10H2,1-2H3