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

Systemtic Name: (4E)-4-[aziridin-1-yl(methylsulfanyl)methylidene]-5-(4-bromophenyl)-2-phenyl-pyrazol-3-one Openeye Name: (4E)-4-[aziridin-1-yl(methylsulfanyl)methylene]-5-(4-bromophenyl)-2-phenyl-pyrazol-3-one CAS Name: (4E)-4-[1-aziridinyl-(methylthio)methylidene]-5-(4-bromophenyl)-2-phenyl-3-pyrazolone IUPAC Name: (4E)-4-[aziridin-1-yl(methylsulfanyl)methylidene]-5-(4-bromophenyl)-2-phenylpyrazol-3-one Traditional Name: (4E)-5-(4-bromophenyl)-4-[ethylenimino-(methylthio)methylene]-2-phenyl-2-pyrazolin-3-one Formula: C19H16BrN3OS MolecularWeight: 414.31884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16BrN3OS/c1-25-19(22-11-12-22)16-17(13-7-9-14(20)10-8-13)21-23(18(16)24)15-5-3-2-4-6-15/h2-10H,11-12H2,1H3/b19-16+