(5E)-2-methylsulfanyl-5-[(5-nitro-1H-pyrrolo[2,3-b]pyridin-3-yl)methylidene]-1H-imidazol-4-one

Systemtic Name: (5E)-2-methylsulfanyl-5-[(5-nitro-1H-pyrrolo[2,3-b]pyridin-3-yl)methylidene]-1H-imidazol-4-one Openeye Name: (5E)-2-methylsulfanyl-5-[(5-nitro-1H-pyrrolo[2,3-b]pyridin-3-yl)methylene]-1H-imidazol-4-one CAS Name: (5E)-2-(methylthio)-5-[(5-nitro-1H-pyrrolo[2,3-b]pyridin-3-yl)methylidene]-1H-imidazol-4-one IUPAC Name: (5E)-2-methylsulfanyl-5-[(5-nitro-1H-pyrrolo[2,3-b]pyridin-3-yl)methylidene]-1H-imidazol-4-one Traditional Name: (5E)-2-(methylthio)-5-[(5-nitro-1H-pyrrolo[2,3-b]pyridin-3-yl)methylene]-2-imidazolin-4-one Formula: C12H9N5O3S MolecularWeight: 303.29656

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=O)C(=CC2=CNC3=NC=C(C=C23)[N+](=O)[O-])N1

Isomeric SMILES

CSC1=NC(=O)/C(=C\C2=CNC3=NC=C(C=C23)[N+](=O)[O-])/N1

InChI

InChI=1S/C12H9N5O3S/c1-21-12-15-9(11(18)16-12)2-6-4-13-10-8(6)3-7(5-14-10)17(19)20/h2-5H,1H3,(H,13,14)(H,15,16,18)/b9-2+