5-methyl-4-[(5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)-(4-methylsulfanylphenyl)methyl]-2-phenyl-1H-pyrazol-3-one

Systemtic Name: 5-methyl-4-[(5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)-(4-methylsulfanylphenyl)methyl]-2-phenyl-1H-pyrazol-3-one Openeye Name: 5-methyl-4-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-(4-methylsulfanylphenyl)methyl]-2-phenyl-1H-pyrazol-3-one CAS Name: 5-methyl-4-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-[4-(methylthio)phenyl]methyl]-2-phenyl-1H-pyrazol-3-one IUPAC Name: 5-methyl-4-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-(4-methylsulfanylphenyl)methyl]-2-phenyl-1H-pyrazol-3-one Traditional Name: 4-[(5-keto-3-methyl-1-phenyl-3-pyrazolin-4-yl)-[4-(methylthio)phenyl]methyl]-5-methyl-2-phenyl-3-pyrazolin-3-one Formula: C28H26N4O2S MolecularWeight: 482.59664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(C3=CC=C(C=C3)SC)C4=C(NN(C4=O)C5=CC=CC=C5)C

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(C3=CC=C(C=C3)SC)C4=C(NN(C4=O)C5=CC=CC=C5)C

InChI

InChI=1S/C28H26N4O2S/c1-18-24(27(33)31(29-18)21-10-6-4-7-11-21)26(20-14-16-23(35-3)17-15-20)25-19(2)30-32(28(25)34)22-12-8-5-9-13-22/h4-17,26,29-30H,1-3H3