4-(4-methylphenyl)sulfanyl-3-oxidanyl-2-phenyl-1H-pyrazol-5-one

Systemtic Name: 4-(4-methylphenyl)sulfanyl-3-oxidanyl-2-phenyl-1H-pyrazol-5-one Openeye Name: 3-hydroxy-2-phenyl-4-(p-tolylsulfanyl)-1H-pyrazol-5-one CAS Name: 3-hydroxy-4-[(4-methylphenyl)thio]-2-phenyl-1H-pyrazol-5-one IUPAC Name: 3-hydroxy-4-(4-methylphenyl)sulfanyl-2-phenyl-1H-pyrazol-5-one Traditional Name: 5-hydroxy-1-phenyl-4-(p-tolylthio)-3-pyrazolin-3-one Formula: C16H14N2O2S MolecularWeight: 298.35956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(N(NC2=O)C3=CC=CC=C3)O

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(N(NC2=O)C3=CC=CC=C3)O

InChI

InChI=1S/C16H14N2O2S/c1-11-7-9-13(10-8-11)21-14-15(19)17-18(16(14)20)12-5-3-2-4-6-12/h2-10,20H,1H3,(H,17,19)