3-[4-[(5Z)-5-[(3-nitrophenyl)methylidene]-4-oxidanylidene-1,3-thiazol-2-yl]piperazin-1-ium-1-yl]propanenitrile

Systemtic Name: 3-[4-[(5Z)-5-[(3-nitrophenyl)methylidene]-4-oxidanylidene-1,3-thiazol-2-yl]piperazin-1-ium-1-yl]propanenitrile Openeye Name: 3-[4-[(5Z)-5-[(3-nitrophenyl)methylene]-4-oxo-thiazol-2-yl]piperazin-1-ium-1-yl]propanenitrile CAS Name: 3-[4-[(5Z)-5-[(3-nitrophenyl)methylidene]-4-oxo-2-thiazolyl]-1-piperazin-1-iumyl]propanenitrile IUPAC Name: 3-[4-[(5Z)-5-[(3-nitrophenyl)methylidene]-4-oxo-1,3-thiazol-2-yl]piperazin-1-ium-1-yl]propanenitrile Traditional Name: 3-[4-[(5Z)-4-keto-5-(3-nitrobenzylidene)-2-thiazolin-2-yl]piperazin-1-ium-1-yl]propionitrile Formula: C17H18N5O3S+ MolecularWeight: 372.42152

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC#N)C2=NC(=O)C(=CC3=CC(=CC=C3)[N+](=O)[O-])S2

Isomeric SMILES

C1CN(CC[NH+]1CCC#N)C2=NC(=O)/C(=C/C3=CC(=CC=C3)[N+](=O)[O-])/S2

InChI

InChI=1S/C17H17N5O3S/c18-5-2-6-20-7-9-21(10-8-20)17-19-16(23)15(26-17)12-13-3-1-4-14(11-13)22(24)25/h1,3-4,11-12H,2,6-10H2/p+1/b15-12-