4-(4,5-dicyano-2-nitro-phenyl)sulfanyl-5-nitro-benzene-1,2-dicarbonitrile

Systemtic Name: 4-(4,5-dicyano-2-nitro-phenyl)sulfanyl-5-nitro-benzene-1,2-dicarbonitrile Openeye Name: 4-(4,5-dicyano-2-nitro-phenyl)sulfanyl-5-nitro-phthalonitrile CAS Name: 4-[(4,5-dicyano-2-nitrophenyl)thio]-5-nitrobenzene-1,2-dicarbonitrile IUPAC Name: 4-(4,5-dicyano-2-nitrophenyl)sulfanyl-5-nitrobenzene-1,2-dicarbonitrile Traditional Name: 4-[(4,5-dicyano-2-nitro-phenyl)thio]-5-nitro-phthalonitrile Formula: C16H4N6O4S MolecularWeight: 376.30576

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H4N6O4S/c17-5-9-1-13(21(23)24)15(3-11(9)7-19)27-16-4-12(8-20)10(6-18)2-14(16)22(25)26/h1-4H