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

Systemtic Name: (4E)-4-[aziridin-1-yl(methylsulfanyl)methylidene]-5-methyl-2-phenyl-pyrazol-3-one Openeye Name: (4E)-4-[aziridin-1-yl(methylsulfanyl)methylene]-5-methyl-2-phenyl-pyrazol-3-one CAS Name: (4E)-4-[1-aziridinyl-(methylthio)methylidene]-5-methyl-2-phenyl-3-pyrazolone IUPAC Name: (4E)-4-[aziridin-1-yl(methylsulfanyl)methylidene]-5-methyl-2-phenylpyrazol-3-one Traditional Name: (4E)-4-[ethylenimino-(methylthio)methylene]-5-methyl-2-phenyl-2-pyrazolin-3-one Formula: C14H15N3OS MolecularWeight: 273.3534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=C(N2CC2)SC)C3=CC=CC=C3

Isomeric SMILES

CC\1=NN(C(=O)/C1=C(\N2CC2)/SC)C3=CC=CC=C3

InChI

InChI=1S/C14H15N3OS/c1-10-12(14(19-2)16-8-9-16)13(18)17(15-10)11-6-4-3-5-7-11/h3-7H,8-9H2,1-2H3/b14-12+