3-(1H-imidazol-2-ylsulfanyl)-5-nitro-benzene-1,2-dicarbonitrile

Systemtic Name: 3-(1H-imidazol-2-ylsulfanyl)-5-nitro-benzene-1,2-dicarbonitrile Openeye Name: 3-(1H-imidazol-2-ylsulfanyl)-5-nitro-phthalonitrile CAS Name: 3-(1H-imidazol-2-ylthio)-5-nitrobenzene-1,2-dicarbonitrile IUPAC Name: 3-(1H-imidazol-2-ylsulfanyl)-5-nitrobenzene-1,2-dicarbonitrile Traditional Name: 3-(1H-imidazol-2-ylthio)-5-nitro-phthalonitrile Formula: C11H5N5O2S MolecularWeight: 271.2547

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N1)SC2=C(C(=CC(=C2)[N+](=O)[O-])C#N)C#N

Isomeric SMILES

C1=CN=C(N1)SC2=C(C(=CC(=C2)[N+](=O)[O-])C#N)C#N

InChI

InChI=1S/C11H5N5O2S/c12-5-7-3-8(16(17)18)4-10(9(7)6-13)19-11-14-1-2-15-11/h1-4H,(H,14,15)