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

Systemtic Name: 5-methyl-4-(4-methylphenyl)sulfanyl-2-phenyl-1H-pyrazol-3-one Openeye Name: 5-methyl-2-phenyl-4-(p-tolylsulfanyl)-1H-pyrazol-3-one CAS Name: 5-methyl-4-[(4-methylphenyl)thio]-2-phenyl-1H-pyrazol-3-one IUPAC Name: 5-methyl-4-(4-methylphenyl)sulfanyl-2-phenyl-1H-pyrazol-3-one Traditional Name: 5-methyl-2-phenyl-4-(p-tolylthio)-3-pyrazolin-3-one Formula: C17H16N2OS MolecularWeight: 296.38674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(NN(C2=O)C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(NN(C2=O)C3=CC=CC=C3)C

InChI

InChI=1S/C17H16N2OS/c1-12-8-10-15(11-9-12)21-16-13(2)18-19(17(16)20)14-6-4-3-5-7-14/h3-11,18H,1-2H3