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

Systemtic Name: sodium 2-(2,1,3-benzothiadiazol-4-yl)-3-oxidanylidene-3-phenyl-propanenitrile Openeye Name: sodium 2-(2,1,3-benzothiadiazol-4-yl)-3-oxo-3-phenyl-propanenitrile CAS Name: sodium 2-(2,1,3-benzothiadiazol-4-yl)-3-oxo-3-phenylpropanenitrile IUPAC Name: sodium 2-(2,1,3-benzothiadiazol-4-yl)-3-oxo-3-phenylpropanenitrile Traditional Name: sodium 3-keto-3-phenyl-2-piazthiol-4-yl-propionitrile Formula: C15H9N3NaOS+ MolecularWeight: 302.30623

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C(C#N)C2=CC=CC3=NSN=C32.[Na+]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C(C#N)C2=CC=CC3=NSN=C32.[Na+]

InChI

InChI=1S/C15H9N3OS.Na/c16-9-12(15(19)10-5-2-1-3-6-10)11-7-4-8-13-14(11)18-20-17-13;/h1-8,12H;/q;+1