(4E)-4-[aziridin-1-yl(methylsulfanyl)methylidene]-2,5-diphenyl-pyrazol-3-one

Systemtic Name: (4E)-4-[aziridin-1-yl(methylsulfanyl)methylidene]-2,5-diphenyl-pyrazol-3-one Openeye Name: (4E)-4-[aziridin-1-yl(methylsulfanyl)methylene]-2,5-diphenyl-pyrazol-3-one CAS Name: (4E)-4-[1-aziridinyl-(methylthio)methylidene]-2,5-diphenyl-3-pyrazolone IUPAC Name: (4E)-4-[aziridin-1-yl(methylsulfanyl)methylidene]-2,5-diphenylpyrazol-3-one Traditional Name: (4E)-4-[ethylenimino-(methylthio)methylene]-2,5-diphenyl-2-pyrazolin-3-one Formula: C19H17N3OS MolecularWeight: 335.42278

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=C1C(=NN(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)N4CC4

Isomeric SMILES

CS/C(=C/1\C(=NN(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)/N4CC4

InChI

InChI=1S/C19H17N3OS/c1-24-19(21-12-13-21)16-17(14-8-4-2-5-9-14)20-22(18(16)23)15-10-6-3-7-11-15/h2-11H,12-13H2,1H3/b19-16+