(4E)-4-[[tert-butyl(sulfanyl)amino]methylidene]-5-methyl-2-phenyl-pyrazol-3-one

Systemtic Name: (4E)-4-[[tert-butyl(sulfanyl)amino]methylidene]-5-methyl-2-phenyl-pyrazol-3-one Openeye Name: (4E)-4-[[tert-butyl(sulfanyl)amino]methylene]-5-methyl-2-phenyl-pyrazol-3-one CAS Name: (4E)-4-[[tert-butyl(mercapto)amino]methylidene]-5-methyl-2-phenyl-3-pyrazolone IUPAC Name: (4E)-4-[[tert-butyl(sulfanyl)amino]methylidene]-5-methyl-2-phenylpyrazol-3-one Traditional Name: (4E)-4-[[tert-butyl(mercapto)amino]methylene]-5-methyl-2-phenyl-2-pyrazolin-3-one Formula: C15H19N3OS MolecularWeight: 289.39586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CN(C(C)(C)C)S)C2=CC=CC=C2

Isomeric SMILES

CC\1=NN(C(=O)/C1=C/N(C(C)(C)C)S)C2=CC=CC=C2

InChI

InChI=1S/C15H19N3OS/c1-11-13(10-17(20)15(2,3)4)14(19)18(16-11)12-8-6-5-7-9-12/h5-10,20H,1-4H3/b13-10+