2-(4-nitro-2,1,3-benzothiadiazol-7-yl)propanedinitrile

Systemtic Name: 2-(4-nitro-2,1,3-benzothiadiazol-7-yl)propanedinitrile Openeye Name: 2-(4-nitro-2,1,3-benzothiadiazol-7-yl)propanedinitrile CAS Name: 2-(4-nitro-2,1,3-benzothiadiazol-7-yl)propanedinitrile IUPAC Name: 2-(4-nitro-2,1,3-benzothiadiazol-7-yl)propanedinitrile Traditional Name: 2-(7-nitropiazthiol-4-yl)malononitrile Formula: C9H3N5O2S MolecularWeight: 245.21742

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C2=NSN=C2C(=C1)[N+](=O)[O-])C(C#N)C#N

Isomeric SMILES

C1=C(C2=NSN=C2C(=C1)[N+](=O)[O-])C(C#N)C#N

InChI

InChI=1S/C9H3N5O2S/c10-3-5(4-11)6-1-2-7(14(15)16)9-8(6)12-17-13-9/h1-2,5H