5-methyl-2-phenyl-4-phenylsulfanyl-4H-pyrazol-3-one

Systemtic Name: 5-methyl-2-phenyl-4-phenylsulfanyl-4H-pyrazol-3-one Openeye Name: 5-methyl-2-phenyl-4-phenylsulfanyl-4H-pyrazol-3-one CAS Name: 5-methyl-2-phenyl-4-(phenylthio)-4H-pyrazol-3-one IUPAC Name: 5-methyl-2-phenyl-4-phenylsulfanyl-4H-pyrazol-3-one Traditional Name: 5-methyl-2-phenyl-4-(phenylthio)-2-pyrazolin-3-one Formula: C16H14N2OS MolecularWeight: 282.36016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1SC2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=O)C1SC2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C16H14N2OS/c1-12-15(20-14-10-6-3-7-11-14)16(19)18(17-12)13-8-4-2-5-9-13/h2-11,15H,1H3