5-[(4-methylphenyl)sulfanylmethyl]-2-phenyl-4H-pyrazol-3-one

Systemtic Name: 5-[(4-methylphenyl)sulfanylmethyl]-2-phenyl-4H-pyrazol-3-one Openeye Name: 2-phenyl-5-(p-tolylsulfanylmethyl)-4H-pyrazol-3-one CAS Name: 5-[[(4-methylphenyl)thio]methyl]-2-phenyl-4H-pyrazol-3-one IUPAC Name: 5-[(4-methylphenyl)sulfanylmethyl]-2-phenyl-4H-pyrazol-3-one Traditional Name: 2-phenyl-5-[(p-tolylthio)methyl]-2-pyrazolin-3-one Formula: C17H16N2OS MolecularWeight: 296.38674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC2=NN(C(=O)C2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)SCC2=NN(C(=O)C2)C3=CC=CC=C3

InChI

InChI=1S/C17H16N2OS/c1-13-7-9-16(10-8-13)21-12-14-11-17(20)19(18-14)15-5-3-2-4-6-15/h2-10H,11-12H2,1H3