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

Systemtic Name: (4E)-4-[aziridin-1-yl(methylsulfanyl)methylidene]-5-(4-methylphenyl)-2-phenyl-pyrazol-3-one Openeye Name: (4E)-4-[aziridin-1-yl(methylsulfanyl)methylene]-2-phenyl-5-(p-tolyl)pyrazol-3-one CAS Name: (4E)-4-[1-aziridinyl-(methylthio)methylidene]-5-(4-methylphenyl)-2-phenyl-3-pyrazolone IUPAC Name: (4E)-4-[aziridin-1-yl(methylsulfanyl)methylidene]-5-(4-methylphenyl)-2-phenylpyrazol-3-one Traditional Name: (4E)-4-[ethylenimino-(methylthio)methylene]-2-phenyl-5-(p-tolyl)-2-pyrazolin-3-one Formula: C20H19N3OS MolecularWeight: 349.44936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(=O)C2=C(N3CC3)SC)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C\2=NN(C(=O)/C2=C(\N3CC3)/SC)C4=CC=CC=C4

InChI

InChI=1S/C20H19N3OS/c1-14-8-10-15(11-9-14)18-17(20(25-2)22-12-13-22)19(24)23(21-18)16-6-4-3-5-7-16/h3-11H,12-13H2,1-2H3/b20-17+