4-nitro-5-pyridin-2-ylsulfanyl-benzene-1,2-dicarbonitrile

Systemtic Name: 4-nitro-5-pyridin-2-ylsulfanyl-benzene-1,2-dicarbonitrile Openeye Name: 4-nitro-5-(2-pyridylsulfanyl)phthalonitrile CAS Name: 4-nitro-5-(2-pyridinylthio)benzene-1,2-dicarbonitrile IUPAC Name: 4-nitro-5-pyridin-2-ylsulfanylbenzene-1,2-dicarbonitrile Traditional Name: 4-nitro-5-(2-pyridylthio)phthalonitrile Formula: C13H6N4O2S MolecularWeight: 282.27734

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H6N4O2S/c14-7-9-5-11(17(18)19)12(6-10(9)8-15)20-13-3-1-2-4-16-13/h1-6H