3-[4-[5-[(3-nitro-4-oxidanyl-phenyl)methylidene]-4-oxidanylidene-1,3-thiazol-2-yl]piperazin-1-yl]propanenitrile

Systemtic Name: 3-[4-[5-[(3-nitro-4-oxidanyl-phenyl)methylidene]-4-oxidanylidene-1,3-thiazol-2-yl]piperazin-1-yl]propanenitrile Openeye Name: 3-[4-[5-[(4-hydroxy-3-nitro-phenyl)methylene]-4-oxo-thiazol-2-yl]piperazin-1-yl]propanenitrile CAS Name: 3-[4-[5-[(4-hydroxy-3-nitrophenyl)methylidene]-4-oxo-2-thiazolyl]-1-piperazinyl]propanenitrile IUPAC Name: 3-[4-[5-[(4-hydroxy-3-nitrophenyl)methylidene]-4-oxo-1,3-thiazol-2-yl]piperazin-1-yl]propanenitrile Traditional Name: 3-[4-[5-(4-hydroxy-3-nitro-benzylidene)-4-keto-2-thiazolin-2-yl]piperazino]propionitrile Formula: C17H17N5O4S MolecularWeight: 387.41298

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC#N)C2=NC(=O)C(=CC3=CC(=C(C=C3)O)[N+](=O)[O-])S2

Isomeric SMILES

C1CN(CCN1CCC#N)C2=NC(=O)C(=CC3=CC(=C(C=C3)O)[N+](=O)[O-])S2

InChI

InChI=1S/C17H17N5O4S/c18-4-1-5-20-6-8-21(9-7-20)17-19-16(24)15(27-17)11-12-2-3-14(23)13(10-12)22(25)26/h2-3,10-11,23H,1,5-9H2