2-(4-nitro-2,1,3-benzothiadiazol-7-yl)-3-oxidanylidene-3-phenyl-propanenitrile

Systemtic Name: 2-(4-nitro-2,1,3-benzothiadiazol-7-yl)-3-oxidanylidene-3-phenyl-propanenitrile Openeye Name: 2-(4-nitro-2,1,3-benzothiadiazol-7-yl)-3-oxo-3-phenyl-propanenitrile CAS Name: 2-(4-nitro-2,1,3-benzothiadiazol-7-yl)-3-oxo-3-phenylpropanenitrile IUPAC Name: 2-(4-nitro-2,1,3-benzothiadiazol-7-yl)-3-oxo-3-phenylpropanenitrile Traditional Name: 3-keto-2-(7-nitropiazthiol-4-yl)-3-phenyl-propionitrile Formula: C15H8N4O3S MolecularWeight: 324.31402

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C(C#N)C2=CC=C(C3=NSN=C23)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C(C#N)C2=CC=C(C3=NSN=C23)[N+](=O)[O-]

InChI

InChI=1S/C15H8N4O3S/c16-8-11(15(20)9-4-2-1-3-5-9)10-6-7-12(19(21)22)14-13(10)17-23-18-14/h1-7,11H